1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2,5-dimethoxyphenyl)ethanone

C17H20N4O3 — CID 69269102

IUPAC1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2,5-dimethoxyphenyl)ethanone
SMILESCOc1ccc(OC)c(CC(=O)N2CCc3c(N)ncnc3C2)c1
InChIInChI=1S/C17H20N4O3/c1-23-12-3-4-15(24-2)11(7-12)8-16(22)21-6-5-13-14(9-21)19-10-20-17(13)18/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,18,19,20)
InChIKeyWLQVDTGCEFRRMF-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.20
Rot. Bonds4

About 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2,5-dimethoxyphenyl)ethanone

1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2,5-dimethoxyphenyl)ethanone (PubChem CID 69269102) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2,5-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2,5-dimethoxyphenyl)ethanone
PubChem CID69269102
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2,5-dimethoxyphenyl)ethanone
SMILESCOc1ccc(OC)c(CC(=O)N2CCc3c(N)ncnc3C2)c1
InChIInChI=1S/C17H20N4O3/c1-23-12-3-4-15(24-2)11(7-12)8-16(22)21-6-5-13-14(9-21)19-10-20-17(13)18/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,18,19,20)
InChIKeyWLQVDTGCEFRRMF-UHFFFAOYSA-N
XLogP1.20
TPSA90.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(3-methoxyphenyl)methanone
CID 69267728
1-[4-[[2-(1-adamantyl)-2-hydroxyethyl]amino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 59160529
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78821506
methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 110803371
2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 98022284
1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylmethoxyethanone
CID 69269067
2-(2,5-dimethoxyphenyl)-1-[2-[(3R)-piperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92594562
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 69271185
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 110800516
6-[2-(5-chloro-2-methoxyphenyl)acetyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136517100

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2,5-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2,5-dimethoxyphenyl)ethanone (CID 69269102) is 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2,5-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2,5-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2,5-dimethoxyphenyl)ethanone is COc1ccc(OC)c(CC(=O)N2CCc3c(N)ncnc3C2)c1.
What is the InChIKey of 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2,5-dimethoxyphenyl)ethanone?
The InChIKey is WLQVDTGCEFRRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-12-3-4-15(24-2)11(7-12)8-16(22)21-6-5-13-14(9-21)19-10-20-17(13)18/h3-4,7,10H,5-6,8-9H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2,5-dimethoxyphenyl)ethanone?
1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2,5-dimethoxyphenyl)ethanone has a molecular weight of 328.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-(2,5-dimethoxyphenyl)ethanone is sourced from PubChem (CID 69269102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).