2-(4-aminophenyl)-6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C21H21N7O — CID 135945013

IUPAC2-(4-aminophenyl)-6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2ncccn2c1CN1CCc2nc(-c3ccc(N)cc3)[nH]c(=O)c2C1
InChIInChI=1S/C21H21N7O/c1-13-18(28-9-2-8-23-21(28)24-13)12-27-10-7-17-16(11-27)20(29)26-19(25-17)14-3-5-15(22)6-4-14/h2-6,8-9H,7,10-12,22H2,1H3,(H,25,26,29)
InChIKeyCDFADYSEZZOTSA-UHFFFAOYSA-N
MW387.45 g/mol
LogP1.93
Rot. Bonds3

About 2-(4-aminophenyl)-6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(4-aminophenyl)-6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135945013) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135945013
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name2-(4-aminophenyl)-6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2ncccn2c1CN1CCc2nc(-c3ccc(N)cc3)[nH]c(=O)c2C1
InChIInChI=1S/C21H21N7O/c1-13-18(28-9-2-8-23-21(28)24-13)12-27-10-7-17-16(11-27)20(29)26-19(25-17)14-3-5-15(22)6-4-14/h2-6,8-9H,7,10-12,22H2,1H3,(H,25,26,29)
InChIKeyCDFADYSEZZOTSA-UHFFFAOYSA-N
XLogP1.93
TPSA105.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenyl)-6-[(2-bromo-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946113
2-(4-aminophenyl)-6-[(5-methylfuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135860968
2-(4-aminophenyl)-6-[(2,6-dimethoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917341
2-(4-aminophenyl)-6-[(4-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919994
6-[(2-methyl-3-pyridinyl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947816
2-(4-aminophenyl)-6-[(2-chlorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917641
6-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943827
2-(4-aminophenyl)-6-[(2-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918140
2-(4-aminophenyl)-6-[(4-chloro-2-phenyl-1H-imidazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943473
2-(4-aminophenyl)-6-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916401
2-(4-aminophenyl)-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944053
2-(4-aminophenyl)-6-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861745

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-aminophenyl)-6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135945013) is 2-(4-aminophenyl)-6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-aminophenyl)-6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-aminophenyl)-6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2ncccn2c1CN1CCc2nc(-c3ccc(N)cc3)[nH]c(=O)c2C1.
What is the InChIKey of 2-(4-aminophenyl)-6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is CDFADYSEZZOTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-13-18(28-9-2-8-23-21(28)24-13)12-27-10-7-17-16(11-27)20(29)26-19(25-17)14-3-5-15(22)6-4-14/h2-6,8-9H,7,10-12,22H2,1H3,(H,25,26,29).
What are the key properties of 2-(4-aminophenyl)-6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(4-aminophenyl)-6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 387.45 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135945013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).