7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

C20H25N5O — CID 50924119

IUPAC7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc(C(C)(C)N)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H25N5O/c1-12(2)23-18-17-16(22-11-25(5)19(17)26)10-15(24-18)13-6-8-14(9-7-13)20(3,4)21/h6-12H,21H2,1-5H3,(H,23,24)
InChIKeyBOAAAMOBLDPUDX-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.01
Rot. Bonds4

About 7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one

7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 50924119) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
PubChem CID50924119
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)Nc1nc(-c2ccc(C(C)(C)N)cc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C20H25N5O/c1-12(2)23-18-17-16(22-11-25(5)19(17)26)10-15(24-18)13-6-8-14(9-7-13)20(3,4)21/h6-12H,21H2,1-5H3,(H,23,24)
InChIKeyBOAAAMOBLDPUDX-UHFFFAOYSA-N
XLogP3.01
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

6-(3-aminopropyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 44180013
1-(4''-Acetyl-biphenyl-3-yl)-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid isopropylamide
CID 10113183
N,N-dimethyl-2-[3-[4-(2-propan-2-ylphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10645210
(R)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)benzo[c][1,6]naphthyridin-1(2H)-one
CID 50925513
2-(4-Ethyl-phenylamino)-4,6-dimethyl-nicotinamide
CID 712047
5,7-dimethylpyrido[2,3-d]pyrimidin-4(3H)-one
CID 135408240
1-[4-({[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]amino}methyl)phenyl]ethan-1-one
CID 11537800
4-(Benzylamino)-6-({4-[(1-Methylpiperidin-4-Yl)carbamoyl]phenyl}amino)pyridine-3-Carboxamide
CID 131704460
2-[4-(tert-butylcarbamoyl)anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 137349435
8-(4-morpholin-4-ylanilino)-6-phenyl-2H-2,7-naphthyridin-1-one
CID 44193817
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086899
N-(2-methylpropyl)-2-[4-[(5-oxo-2-phenyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 72697151

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one (CID 50924119) is 7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is CC(C)Nc1nc(-c2ccc(C(C)(C)N)cc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BOAAAMOBLDPUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-12(2)23-18-17-16(22-11-25(5)19(17)26)10-15(24-18)13-6-8-14(9-7-13)20(3,4)21/h6-12H,21H2,1-5H3,(H,23,24).
What are the key properties of 7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one?
7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 351.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50924119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).