4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

C57H73N15O7 — CID 160740313

IUPAC4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
SMILESCCCCOc1nc(N)c2c(n1)N(Cc1ccc(C)nc1)CC(=O)C2.CCC[C@H](C)Oc1nc(N)c2c(n1)N(Cc1ccc(C)nc1)CC(=O)C2.Cc1ccc(CN2CC(=O)Cc3c(N)nc(OCC4CCOCC4)nc32)cn1
InChIInChI=1S/C20H25N5O3.C19H25N5O2.C18H23N5O2/c1-13-2-3-15(9-22-13)10-25-11-16(26)8-17-18(21)23-20(24-19(17)25)28-12-14-4-6-27-7-5-14;1-4-5-13(3)26-19-22-17(20)16-8-15(25)11-24(18(16)23-19)10-14-7-6-12(2)21-9-14;1-3-4-7-25-18-21-16(19)15-8-14(24)11-23(17(15)22-18)10-13-6-5-12(2)20-9-13/h2-3,9,14H,4-8,10-12H2,1H3,(H2,21,23,24);6-7,9,13H,4-5,8,10-11H2,1-3H3,(H2,20,22,23);5-6,9H,3-4,7-8,10-11H2,1-2H3,(H2,19,21,22)/t;13-;/m.0./s1
InChIKeyRVMIURJHXYDTOO-QESDSITOSA-N
MW1080.31 g/mol
LogP6.23
Rot. Bonds17

About 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (PubChem CID 160740313) has the molecular formula C57H73N15O7 and a molecular weight of 1080.31 g/mol. Its IUPAC name is 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
PubChem CID160740313
Molecular FormulaC57H73N15O7
Molecular Weight1080.31 g/mol
Exact Mass1079.58
IUPAC Name4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
SMILESCCCCOc1nc(N)c2c(n1)N(Cc1ccc(C)nc1)CC(=O)C2.CCC[C@H](C)Oc1nc(N)c2c(n1)N(Cc1ccc(C)nc1)CC(=O)C2.Cc1ccc(CN2CC(=O)Cc3c(N)nc(OCC4CCOCC4)nc32)cn1
InChIInChI=1S/C20H25N5O3.C19H25N5O2.C18H23N5O2/c1-13-2-3-15(9-22-13)10-25-11-16(26)8-17-18(21)23-20(24-19(17)25)28-12-14-4-6-27-7-5-14;1-4-5-13(3)26-19-22-17(20)16-8-15(25)11-24(18(16)23-19)10-14-7-6-12(2)21-9-14;1-3-4-7-25-18-21-16(19)15-8-14(24)11-23(17(15)22-18)10-13-6-5-12(2)20-9-13/h2-3,9,14H,4-8,10-12H2,1H3,(H2,21,23,24);6-7,9,13H,4-5,8,10-11H2,1-3H3,(H2,20,22,23);5-6,9H,3-4,7-8,10-11H2,1-2H3,(H2,19,21,22)/t;13-;/m.0./s1
InChIKeyRVMIURJHXYDTOO-QESDSITOSA-N
XLogP6.23
TPSA291.92 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001080.31
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 25000735
1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N-methylpiperidine-4-carboxamide
CID 59703443
N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-4-morpholin-4-yl-2-(oxan-4-ylmethoxy)pyrido[3,4-d]pyrimidin-6-amine
CID 145973433
N-[2-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(3-methyl-1,3-diazinan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 166546646
N-[2-[(3S,4R)-3-fluoro-4-methoxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]-8-(3-methyl-1,3-diazinan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 166546731
N-[2-[(3S,4R)-3-fluoro-4-methoxypiperidin-1-yl]pyrimidin-4-yl]-8-(3-methyl-1,3-diazinan-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-amine
CID 166546889
2-(3,3-dimethylmorpholin-4-yl)-N-[[2-(trifluoromethyl)pyridin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine;2-(2-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)pyridin-3-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 160458726
ethyl 1-[2-methyl-6-(pyridin-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
CID 5260812
1-O-tert-butyl 4-O-(3-pyridin-4-ylpropyl) (2S)-2-[[[2,5-dimethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]butanedioate
CID 58149561
(2S)-2-[[[2,5-dimethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]-4-oxo-4-(3-pyridin-4-ylpropoxy)butanoic acid
CID 58149637
1-[4-[5-[2-(2-Aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-2-pyridinyl]piperazin-1-yl]-4-methylpent-3-en-2-one
CID 58441334
1-[4-[5-[2-(2-Aminopyrimidin-5-yl)-6-morpholin-4-yl-4-pyridinyl]-2-pyridinyl]piperazin-1-yl]-4-methylpentane-1,2-dione
CID 58441563

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (CID 160740313) is 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is CCCCOc1nc(N)c2c(n1)N(Cc1ccc(C)nc1)CC(=O)C2.CCC[C@H](C)Oc1nc(N)c2c(n1)N(Cc1ccc(C)nc1)CC(=O)C2.Cc1ccc(CN2CC(=O)Cc3c(N)nc(OCC4CCOCC4)nc32)cn1.
What is the InChIKey of 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The InChIKey is RVMIURJHXYDTOO-QESDSITOSA-N. The full InChI is InChI=1S/C20H25N5O3.C19H25N5O2.C18H23N5O2/c1-13-2-3-15(9-22-13)10-25-11-16(26)8-17-18(21)23-20(24-19(17)25)28-12-14-4-6-27-7-5-14;1-4-5-13(3)26-19-22-17(20)16-8-15(25)11-24(18(16)23-19)10-14-7-6-12(2)21-9-14;1-3-4-7-25-18-21-16(19)15-8-14(24)11-23(17(15)22-18)10-13-6-5-12(2)20-9-13/h2-3,9,14H,4-8,10-12H2,1H3,(H2,21,23,24);6-7,9,13H,4-5,8,10-11H2,1-3H3,(H2,20,22,23);5-6,9H,3-4,7-8,10-11H2,1-2H3,(H2,19,21,22)/t;13-;/m.0./s1.
What are the key properties of 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one has a molecular weight of 1080.31 g/mol, XLogP of 6.23, 17 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-butoxy-8-[(6-methyl-3-pyridinyl)methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-[(2S)-pentan-2-yl]oxy-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 160740313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).