6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one

C16H19N7O — CID 163409097

IUPAC6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one
SMILESCn1cc(Nc2nc(NC3(C)CC3)c3c(=O)n(C)ccc3n2)cn1
InChIInChI=1S/C16H19N7O/c1-16(5-6-16)21-13-12-11(4-7-22(2)14(12)24)19-15(20-13)18-10-8-17-23(3)9-10/h4,7-9H,5-6H2,1-3H3,(H2,18,19,20,21)
InChIKeyYBWPAUYJHMYTBP-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.77
Rot. Bonds4

About 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one

6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one (PubChem CID 163409097) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one
PubChem CID163409097
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one
SMILESCn1cc(Nc2nc(NC3(C)CC3)c3c(=O)n(C)ccc3n2)cn1
InChIInChI=1S/C16H19N7O/c1-16(5-6-16)21-13-12-11(4-7-22(2)14(12)24)19-15(20-13)18-10-8-17-23(3)9-10/h4,7-9H,5-6H2,1-3H3,(H2,18,19,20,21)
InChIKeyYBWPAUYJHMYTBP-UHFFFAOYSA-N
XLogP1.77
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one (CID 163409097) is 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one is Cn1cc(Nc2nc(NC3(C)CC3)c3c(=O)n(C)ccc3n2)cn1.
What is the InChIKey of 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is YBWPAUYJHMYTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-16(5-6-16)21-13-12-11(4-7-22(2)14(12)24)19-15(20-13)18-10-8-17-23(3)9-10/h4,7-9H,5-6H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one?
6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 325.38 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 163409097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).