4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methane

C146H207Cl2F3N30O13 — CID 161251715

About 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methane

4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methane (PubChem CID 161251715) has the molecular formula C146H207Cl2F3N30O13 and a molecular weight of 2718.36 g/mol. Its IUPAC name is 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methane.

Molecular Properties

• Compound Name: 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methane
• PubChem CID: 161251715
• Molecular Formula: C146H207Cl2F3N30O13
• Molecular Weight: 2718.36 g/mol
• Exact Mass: 2715.58
• IUPAC Name: 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methane
• SMILES: C.C.C.C.C.C.CCCCOc1nc(N)c2c(n1)N(Cc1cc(CN3CCCC3)cc(C(F)(F)F)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cc(Cl)cc(CN3CCCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(Cl)c(CN3CCCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN(CC3CC3)C(C)=O)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CNCC3CC3)c1)CC(=O)C2
• InChI: InChI=1S/C25H33N5O3.C24H30F3N5O2.2C23H30ClN5O2.C23H31N5O2.C22H29N5O2.6CH4/c1-3-4-10-33-25-27-23(26)22-12-21(32)16-30(24(22)28-25)15-20-7-5-6-19(11-20)14-29(17(2)31)13-18-8-9-18;1-2-3-8-34-23-29-21(28)20-12-19(33)15-32(22(20)30-23)14-17-9-16(13-31-6-4-5-7-31)10-18(11-17)24(25,26)27;1-2-3-10-31-23-26-21(25)19-12-18(30)15-29(22(19)27-23)13-16-6-7-20(24)17(11-16)14-28-8-4-5-9-28;1-2-3-8-31-23-26-21(25)20-12-19(30)15-29(22(20)27-23)14-17-9-16(10-18(24)11-17)13-28-6-4-5-7-28;1-2-3-9-30-23-26-21(24)20-11-19(29)15-28(22(20)27-23)14-18-6-4-5-17(10-18)13-25-12-16-7-8-16;1-2-3-10-29-22-24-20(23)19-12-18(28)15-27(21(19)25-22)14-17-7-4-6-16(11-17)13-26-8-5-9-26;;;;;;/h5-7,11,18H,3-4,8-10,12-16H2,1-2H3,(H2,26,27,28);9-11H,2-8,12-15H2,1H3,(H2,28,29,30);6-7,11H,2-5,8-10,12-15H2,1H3,(H2,25,26,27);9-11H,2-8,12-15H2,1H3,(H2,25,26,27);4-6,10,16,25H,2-3,7-9,11-15H2,1H3,(H2,24,26,27);4,6-7,11H,2-3,5,8-10,12-15H2,1H3,(H2,23,24,25);6*1H4
• InChIKey: VBIZUPCCSZLJMD-UHFFFAOYSA-N
• XLogP: 23.61
• TPSA: 533.34 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 42
• Rotatable Bonds: 52
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2718.36
LogP ≤ 5	23.61
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methane?

The IUPAC name of 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methane (CID 161251715) is 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methane.

What is the SMILES notation for 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methane?

The canonical SMILES for 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methane is C.C.C.C.C.C.CCCCOc1nc(N)c2c(n1)N(Cc1cc(CN3CCCC3)cc(C(F)(F)F)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cc(Cl)cc(CN3CCCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1ccc(Cl)c(CN3CCCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN(CC3CC3)C(C)=O)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCC3)c1)CC(=O)C2.CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CNCC3CC3)c1)CC(=O)C2.

What is the InChIKey of 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methane?

The InChIKey is VBIZUPCCSZLJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3.C24H30F3N5O2.2C23H30ClN5O2.C23H31N5O2.C22H29N5O2.6CH4/c1-3-4-10-33-25-27-23(26)22-12-21(32)16-30(24(22)28-25)15-20-7-5-6-19(11-20)14-29(17(2)31)13-18-8-9-18;1-2-3-8-34-23-29-21(28)20-12-19(33)15-32(22(20)30-23)14-17-9-16(13-31-6-4-5-7-31)10-18(11-17)24(25,26)27;1-2-3-10-31-23-26-21(25)19-12-18(30)15-29(22(19)27-23)13-16-6-7-20(24)17(11-16)14-28-8-4-5-9-28;1-2-3-8-31-23-26-21(25)20-12-19(30)15-29(22(20)27-23)14-17-9-16(10-18(24)11-17)13-28-6-4-5-7-28;1-2-3-9-30-23-26-21(24)20-11-19(29)15-28(22(20)27-23)14-18-6-4-5-17(10-18)13-25-12-16-7-8-16;1-2-3-10-29-22-24-20(23)19-12-18(28)15-27(21(19)25-22)14-17-7-4-6-16(11-17)13-26-8-5-9-26;;;;;;/h5-7,11,18H,3-4,8-10,12-16H2,1-2H3,(H2,26,27,28);9-11H,2-8,12-15H2,1H3,(H2,28,29,30);6-7,11H,2-5,8-10,12-15H2,1H3,(H2,25,26,27);9-11H,2-8,12-15H2,1H3,(H2,25,26,27);4-6,10,16,25H,2-3,7-9,11-15H2,1H3,(H2,24,26,27);4,6-7,11H,2-3,5,8-10,12-15H2,1H3,(H2,23,24,25);6*1H4.

What are the key properties of 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methane?

4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methane has a molecular weight of 2718.36 g/mol, XLogP of 23.61, 52 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;N-[[3-[(4-amino-2-butoxy-6-oxo-5,7-dihydropyrido[2,3-d]pyrimidin-8-yl)methyl]phenyl]methyl]-N-(cyclopropylmethyl)acetamide;4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;methane is sourced from PubChem (CID 161251715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).