8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

C141H191Cl2N31O5 — CID 159973598

About 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (PubChem CID 159973598) has the molecular formula C141H191Cl2N31O5 and a molecular weight of 2471.20 g/mol. Its IUPAC name is 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 159973598
• Molecular Formula: C141H191Cl2N31O5
• Molecular Weight: 2471.20 g/mol
• Exact Mass: 2468.50
• IUPAC Name: 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• SMILES: C=C1Cc2c(N)nc(NCCCC)nc2N(Cc2ccc(CN3CCCC3)cc2)C1.C=C1Cc2c(N)nc(OCC)nc2N(Cc2cccc(CN3CCCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cc(Cl)cc(CN3CCCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(Cl)c(CN3CCCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN3CCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CNCC3CC3)c2)C1
• InChI: InChI=1S/2C24H32ClN5O.C24H34N6.C24H33N5O.C23H31N5O.C22H29N5O/c1-3-4-11-31-24-27-22(26)20-12-17(2)14-30(23(20)28-24)15-18-7-8-21(25)19(13-18)16-29-9-5-6-10-29;1-3-4-9-31-24-27-22(26)21-10-17(2)14-30(23(21)28-24)16-19-11-18(12-20(25)13-19)15-29-7-5-6-8-29;1-3-4-11-26-24-27-22(25)21-14-18(2)15-30(23(21)28-24)17-20-9-7-19(8-10-20)16-29-12-5-6-13-29;1-3-4-10-30-24-27-22(25)21-11-17(2)15-29(23(21)28-24)16-20-7-5-6-19(12-20)14-26-13-18-8-9-18;1-3-4-11-29-23-25-21(24)20-12-17(2)14-28(22(20)26-23)16-19-8-5-7-18(13-19)15-27-9-6-10-27;1-3-28-22-24-20(23)19-11-16(2)13-27(21(19)25-22)15-18-8-6-7-17(12-18)14-26-9-4-5-10-26/h7-8,13H,2-6,9-12,14-16H2,1H3,(H2,26,27,28);11-13H,2-10,14-16H2,1H3,(H2,26,27,28);7-10H,2-6,11-17H2,1H3,(H3,25,26,27,28);5-7,12,18,26H,2-4,8-11,13-16H2,1H3,(H2,25,27,28);5,7-8,13H,2-4,6,9-12,14-16H2,1H3,(H2,24,25,26);6-8,12H,2-5,9-11,13-15H2,1H3,(H2,23,24,25)
• InChIKey: OEWFVINQSUPEAC-UHFFFAOYSA-N
• XLogP: 23.79
• TPSA: 416.65 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 48
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2471.20
LogP ≤ 5	23.79
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (CID 159973598) is 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is C=C1Cc2c(N)nc(NCCCC)nc2N(Cc2ccc(CN3CCCC3)cc2)C1.C=C1Cc2c(N)nc(OCC)nc2N(Cc2cccc(CN3CCCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cc(Cl)cc(CN3CCCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(Cl)c(CN3CCCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CN3CCC3)c2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2cccc(CNCC3CC3)c2)C1.

What is the InChIKey of 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is OEWFVINQSUPEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H32ClN5O.C24H34N6.C24H33N5O.C23H31N5O.C22H29N5O/c1-3-4-11-31-24-27-22(26)20-12-17(2)14-30(23(20)28-24)15-18-7-8-21(25)19(13-18)16-29-9-5-6-10-29;1-3-4-9-31-24-27-22(26)21-10-17(2)14-30(23(21)28-24)16-19-11-18(12-20(25)13-19)15-29-7-5-6-8-29;1-3-4-11-26-24-27-22(25)21-14-18(2)15-30(23(21)28-24)17-20-9-7-19(8-10-20)16-29-12-5-6-13-29;1-3-4-10-30-24-27-22(25)21-11-17(2)15-29(23(21)28-24)16-20-7-5-6-19(12-20)14-26-13-18-8-9-18;1-3-4-11-29-23-25-21(24)20-12-17(2)14-28(22(20)26-23)16-19-8-5-7-18(13-19)15-27-9-6-10-27;1-3-28-22-24-20(23)19-11-16(2)13-27(21(19)25-22)15-18-8-6-7-17(12-18)14-26-9-4-5-10-26/h7-8,13H,2-6,9-12,14-16H2,1H3,(H2,26,27,28);11-13H,2-10,14-16H2,1H3,(H2,26,27,28);7-10H,2-6,11-17H2,1H3,(H3,25,26,27,28);5-7,12,18,26H,2-4,8-11,13-16H2,1H3,(H2,25,27,28);5,7-8,13H,2-4,6,9-12,14-16H2,1H3,(H2,24,25,26);6-8,12H,2-5,9-11,13-15H2,1H3,(H2,23,24,25).

What are the key properties of 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 2471.20 g/mol, XLogP of 23.79, 48 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[3-(azetidin-1-ylmethyl)phenyl]methyl]-2-butoxy-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[4-chloro-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-butoxy-8-[[3-[(cyclopropylmethylamino)methyl]phenyl]methyl]-6-methylidene-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;2-N-butyl-6-methylidene-8-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidine-2,4-diamine;2-ethoxy-6-methylidene-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159973598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).