4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one

C20H25N5O3 — CID 160740314

IUPAC4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
SMILESCc1ccc(CN2CC(=O)Cc3c(N)nc(OCC4CCOCC4)nc32)cn1
InChIInChI=1S/C20H25N5O3/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/h2-3,9,14H,4-8,10-12H2,1H3,(H2,21,23,24)
InChIKeyNDLJGCLUBCPJSF-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.70
Rot. Bonds5

About 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-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (PubChem CID 160740314) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
PubChem CID160740314
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one
SMILESCc1ccc(CN2CC(=O)Cc3c(N)nc(OCC4CCOCC4)nc32)cn1
InChIInChI=1S/C20H25N5O3/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/h2-3,9,14H,4-8,10-12H2,1H3,(H2,21,23,24)
InChIKeyNDLJGCLUBCPJSF-UHFFFAOYSA-N
XLogP1.70
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-4-methyl-6-(6-methylpyridin-3-yl)-8-(tetrahydro-2H-pyran-4-yl)pteridin-7(8H)-one
CID 49800135
3-methyl-1-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butan-1-one
CID 71450486
5-[2-[4-Ethyl-6-[4-(methoxymethyl)piperidin-1-yl]pyrimidin-5-yl]ethynyl]pyridin-2-amine
CID 58073649
1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 127039612
(2S)-4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]amino]-2-(pyrimidin-4-ylamino)butanoic acid
CID 139463797
(2-(2-aminopyrimidin-5-yl)-6-morpholinopyridin-4-yl)(tetrahydro-2H-pyran-4-yl)methanone
CID 146177533
[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[(3R,4R)-1-methyl-3-pyridin-4-ylpiperidin-4-yl]methanone
CID 163200265
Methyl 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperidine-4-carboxylate
CID 48930529
N~4~-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-diamine
CID 56746248
2-methyl-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56754201
N-methyl-2-pyridin-3-yl-N-(tetrahydro-2H-pyran-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56877709
4-(4-Morpholinyl)-7-[3-(4-pyridinyl)propanoyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 70723953

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one (CID 160740314) is 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is Cc1ccc(CN2CC(=O)Cc3c(N)nc(OCC4CCOCC4)nc32)cn1.
What is the InChIKey of 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one?
The InChIKey is NDLJGCLUBCPJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/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/h2-3,9,14H,4-8,10-12H2,1H3,(H2,21,23,24).
What are the key properties of 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-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one has a molecular weight of 383.45 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-[(6-methyl-3-pyridinyl)methyl]-2-(oxan-4-ylmethoxy)-5,7-dihydropyrido[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 160740314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).