4-amino-2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

C101H137N25O8 — CID 157345001

About 4-amino-2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine

4-amino-2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (PubChem CID 157345001) has the molecular formula C101H137N25O8 and a molecular weight of 1829.37 g/mol. Its IUPAC name is 4-amino-2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-amino-2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• PubChem CID: 157345001
• Molecular Formula: C101H137N25O8
• Molecular Weight: 1829.37 g/mol
• Exact Mass: 1828.11
• IUPAC Name: 4-amino-2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine
• SMILES: C=C1Cc2c(N)nc(OCC3CCCO3)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCC3CCOC3)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(O[C@@H](C)CCC)nc2N(Cc2ccc(C)nc2)C1.CCCCOc1nc(N)c2c(n1)N(CCC1CCN(CC3CC3)CC1)CC(=O)C2
• InChI: InChI=1S/C22H35N5O2.2C20H25N5O2.C20H27N5O.C19H25N5O/c1-2-3-12-29-22-24-20(23)19-13-18(28)15-27(21(19)25-22)11-8-16-6-9-26(10-7-16)14-17-4-5-17;1-13-7-17-18(21)23-20(27-12-16-5-6-26-11-16)24-19(17)25(9-13)10-15-4-3-14(2)22-8-15;1-13-8-17-18(21)23-20(27-12-16-4-3-7-26-16)24-19(17)25(10-13)11-15-6-5-14(2)22-9-15;1-5-6-15(4)26-20-23-18(21)17-9-13(2)11-25(19(17)24-20)12-16-8-7-14(3)22-10-16;1-4-5-8-25-19-22-17(20)16-9-13(2)11-24(18(16)23-19)12-15-7-6-14(3)21-10-15/h16-17H,2-15H2,1H3,(H2,23,24,25);3-4,8,16H,1,5-7,9-12H2,2H3,(H2,21,23,24);5-6,9,16H,1,3-4,7-8,10-12H2,2H3,(H2,21,23,24);7-8,10,15H,2,5-6,9,11-12H2,1,3-4H3,(H2,21,23,24);6-7,10H,2,4-5,8-9,11-12H2,1,3H3,(H2,20,22,23)/t;;;15-;/m...0./s1
• InChIKey: BGVUZSUTBNDFSP-XTUFBPCPSA-N
• XLogP: 13.93
• TPSA: 411.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 31
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1829.37
LogP ≤ 5	13.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

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 4-amino-2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The IUPAC name of 4-amino-2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine (CID 157345001) is 4-amino-2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 4-amino-2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 4-amino-2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is C=C1Cc2c(N)nc(OCC3CCCO3)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCC3CCOC3)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(OCCCC)nc2N(Cc2ccc(C)nc2)C1.C=C1Cc2c(N)nc(O[C@@H](C)CCC)nc2N(Cc2ccc(C)nc2)C1.CCCCOc1nc(N)c2c(n1)N(CCC1CCN(CC3CC3)CC1)CC(=O)C2.

What is the InChIKey of 4-amino-2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

The InChIKey is BGVUZSUTBNDFSP-XTUFBPCPSA-N. The full InChI is InChI=1S/C22H35N5O2.2C20H25N5O2.C20H27N5O.C19H25N5O/c1-2-3-12-29-22-24-20(23)19-13-18(28)15-27(21(19)25-22)11-8-16-6-9-26(10-7-16)14-17-4-5-17;1-13-7-17-18(21)23-20(27-12-16-5-6-26-11-16)24-19(17)25(9-13)10-15-4-3-14(2)22-8-15;1-13-8-17-18(21)23-20(27-12-16-4-3-7-26-16)24-19(17)25(10-13)11-15-6-5-14(2)22-9-15;1-5-6-15(4)26-20-23-18(21)17-9-13(2)11-25(19(17)24-20)12-16-8-7-14(3)22-10-16;1-4-5-8-25-19-22-17(20)16-9-13(2)11-24(18(16)23-19)12-15-7-6-14(3)21-10-15/h16-17H,2-15H2,1H3,(H2,23,24,25);3-4,8,16H,1,5-7,9-12H2,2H3,(H2,21,23,24);5-6,9,16H,1,3-4,7-8,10-12H2,2H3,(H2,21,23,24);7-8,10,15H,2,5-6,9,11-12H2,1,3-4H3,(H2,21,23,24);6-7,10H,2,4-5,8-9,11-12H2,1,3H3,(H2,20,22,23)/t;;;15-;/m...0./s1.

What are the key properties of 4-amino-2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine?

4-amino-2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 1829.37 g/mol, XLogP of 13.93, 31 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-butoxy-8-[2-[1-(cyclopropylmethyl)piperidin-4-yl]ethyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;2-butoxy-6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-2-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine;6-methylidene-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 157345001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).