5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

C20H22N4O — CID 66959853

IUPAC5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1
InChIInChI=1S/C20H22N4O/c1-12(2)13-4-6-14(7-5-13)16-10-17-18(20(25)24(3)11-21-17)19(23-16)22-15-8-9-15/h4-7,10-12,15H,8-9H2,1-3H3,(H,22,23)
InChIKeyVTQMKDZDRPBWRM-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.69
Rot. Bonds4

About 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959853) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66959853
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCC(C)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1
InChIInChI=1S/C20H22N4O/c1-12(2)13-4-6-14(7-5-13)16-10-17-18(20(25)24(3)11-21-17)19(23-16)22-15-8-9-15/h4-7,10-12,15H,8-9H2,1-3H3,(H,22,23)
InChIKeyVTQMKDZDRPBWRM-UHFFFAOYSA-N
XLogP3.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(cyclopropylamino)-3-methyl-4-oxopyrido[4,3-d]pyrimidin-7-yl]-N-methylbenzenesulfonamide
CID 66959397
5-(cyclopropylamino)-3-methyl-7-(2-methyl-3H-benzimidazol-5-yl)pyrido[4,3-d]pyrimidin-4-one
CID 66892160
5-(cyclopropylamino)-3-methyl-7-[4-[2-[(1-methylpiperidin-4-yl)amino]ethyl]phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66958881
7-[4-(1-hydroxyethyl)phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50924742
7-[4-[(1S)-1-aminoethyl]phenyl]-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959635
5-(cyclopropylamino)-3-methyl-7-[4-[(1-methylpiperidin-4-yl)amino]-3-methylsulfonylphenyl]pyrido[4,3-d]pyrimidin-4-one
CID 50923119
5-(cyclopropylamino)-7-[6-(3-methoxypropylamino)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959207
7-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959326
3-methyl-7-(4-piperidin-4-ylphenyl)-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 66959522
5-(cyclopropylamino)-7-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66959740
7-[4-(2-hydroxypropan-2-yl)phenyl]-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one
CID 66958842
7-[4-(1-ethylazetidin-3-yl)phenyl]-3-methyl-5-(oxolan-3-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 77211595

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 66959853) is 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is CC(C)c1ccc(-c2cc3ncn(C)c(=O)c3c(NC3CC3)n2)cc1.
What is the InChIKey of 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is VTQMKDZDRPBWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-12(2)13-4-6-14(7-5-13)16-10-17-18(20(25)24(3)11-21-17)19(23-16)22-15-8-9-15/h4-7,10-12,15H,8-9H2,1-3H3,(H,22,23).
What are the key properties of 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 334.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-3-methyl-7-(4-propan-2-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).