2-amino-6-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C19H22N6O — CID 135944725

IUPAC2-amino-6-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccccc1-n1ncc(CN2CCc3nc(N)[nH]c(=O)c3C2)c1C
InChIInChI=1S/C19H22N6O/c1-12-5-3-4-6-17(12)25-13(2)14(9-21-25)10-24-8-7-16-15(11-24)18(26)23-19(20)22-16/h3-6,9H,7-8,10-11H2,1-2H3,(H3,20,22,23,26)
InChIKeyPHRLRIHIEIWMEX-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.71
Rot. Bonds3

About 2-amino-6-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-amino-6-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135944725) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-amino-6-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135944725
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-amino-6-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1ccccc1-n1ncc(CN2CCc3nc(N)[nH]c(=O)c3C2)c1C
InChIInChI=1S/C19H22N6O/c1-12-5-3-4-6-17(12)25-13(2)14(9-21-25)10-24-8-7-16-15(11-24)18(26)23-19(20)22-16/h3-6,9H,7-8,10-11H2,1-2H3,(H3,20,22,23,26)
InChIKeyPHRLRIHIEIWMEX-UHFFFAOYSA-N
XLogP1.71
TPSA92.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944699
2-amino-6-[(2,4-dihydroxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916973
2-amino-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942507
2-amino-6-[(5-methylthiophen-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861180
2-amino-6-[(3-chloro-2-fluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918610
2-amino-6-[(2,6-dichlorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917253
2-amino-6-[(2-fluoro-3-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917773
2-amino-6-[(4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861400
2-amino-6-[(4-fluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919807
2-amino-6-[(4-propylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920106
2-amino-6-[(4-tert-butylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920126
2-amino-6-[(4-phenoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920066

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-6-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135944725) is 2-amino-6-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-6-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1ccccc1-n1ncc(CN2CCc3nc(N)[nH]c(=O)c3C2)c1C.
What is the InChIKey of 2-amino-6-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is PHRLRIHIEIWMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12-5-3-4-6-17(12)25-13(2)14(9-21-25)10-24-8-7-16-15(11-24)18(26)23-19(20)22-16/h3-6,9H,7-8,10-11H2,1-2H3,(H3,20,22,23,26).
What are the key properties of 2-amino-6-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-amino-6-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 350.43 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135944725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).