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

C20H26N4O3 — CID 56864916

IUPAC1-[4-[2-(2,3-dimethoxyphenyl)ethylamino]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCOc1cccc(CCNc2nc(C)nc3c2CCN(C(C)=O)C3)c1OC
InChIInChI=1S/C20H26N4O3/c1-13-22-17-12-24(14(2)25)11-9-16(17)20(23-13)21-10-8-15-6-5-7-18(26-3)19(15)27-4/h5-7H,8-12H2,1-4H3,(H,21,22,23)
InChIKeyOOENYVDWLGWBQF-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.36
Rot. Bonds6

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

1-[4-[2-(2,3-dimethoxyphenyl)ethylamino]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 56864916) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[4-[2-(2,3-dimethoxyphenyl)ethylamino]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2,3-dimethoxyphenyl)ethylamino]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
PubChem CID56864916
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[4-[2-(2,3-dimethoxyphenyl)ethylamino]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCOc1cccc(CCNc2nc(C)nc3c2CCN(C(C)=O)C3)c1OC
InChIInChI=1S/C20H26N4O3/c1-13-22-17-12-24(14(2)25)11-9-16(17)20(23-13)21-10-8-15-6-5-7-18(26-3)19(15)27-4/h5-7H,8-12H2,1-4H3,(H,21,22,23)
InChIKeyOOENYVDWLGWBQF-UHFFFAOYSA-N
XLogP2.36
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(7-acetyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-N-(4-fluorophenyl)propanamide
CID 56863265
[4-[2-(2-chlorophenyl)ethylamino]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 142062198
1-[2-chloro-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 146405528
1-[2-methyl-4-(2-pyridin-2-ylsulfanylethylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone
CID 50979593
1-[(2R)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 92622929
1-[4-[[(2S)-2-hydroxy-3-methoxypropyl]amino]-2-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone
CID 95144045
1-[4-(2-hydroxyethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70724655
7-acetyl-N-[2-(2-methoxyphenyl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529305
1-[4-(2-pyrazin-2-ylethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70709785
N-[2-[(7-acetyl-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]acetamide
CID 70727327
1-[3-[7-(2-methoxy-3-methylbenzoyl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110265780
1-[2-(dimethylamino)-4-[(2,5-dimethylphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70756958

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,3-dimethoxyphenyl)ethylamino]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[4-[2-(2,3-dimethoxyphenyl)ethylamino]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 56864916) is 1-[4-[2-(2,3-dimethoxyphenyl)ethylamino]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2,3-dimethoxyphenyl)ethylamino]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2,3-dimethoxyphenyl)ethylamino]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is COc1cccc(CCNc2nc(C)nc3c2CCN(C(C)=O)C3)c1OC.
What is the InChIKey of 1-[4-[2-(2,3-dimethoxyphenyl)ethylamino]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The InChIKey is OOENYVDWLGWBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13-22-17-12-24(14(2)25)11-9-16(17)20(23-13)21-10-8-15-6-5-7-18(26-3)19(15)27-4/h5-7H,8-12H2,1-4H3,(H,21,22,23).
What are the key properties of 1-[4-[2-(2,3-dimethoxyphenyl)ethylamino]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
1-[4-[2-(2,3-dimethoxyphenyl)ethylamino]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 370.45 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,3-dimethoxyphenyl)ethylamino]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 56864916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).