2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methyl-1H-pyrimidin-6-one

C10H13N5O2 — CID 146497745

IUPAC2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methyl-1H-pyrimidin-6-one
SMILESCOc1nn(C)cc1Nc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C10H13N5O2/c1-6-4-11-10(13-8(6)16)12-7-5-15(2)14-9(7)17-3/h4-5H,1-3H3,(H2,11,12,13,16)
InChIKeyOUKZYQSDPNFYPT-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.56
Rot. Bonds3

About 2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methyl-1H-pyrimidin-6-one

2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methyl-1H-pyrimidin-6-one (PubChem CID 146497745) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methyl-1H-pyrimidin-6-one
PubChem CID146497745
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methyl-1H-pyrimidin-6-one
SMILESCOc1nn(C)cc1Nc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C10H13N5O2/c1-6-4-11-10(13-8(6)16)12-7-5-15(2)14-9(7)17-3/h4-5H,1-3H3,(H2,11,12,13,16)
InChIKeyOUKZYQSDPNFYPT-UHFFFAOYSA-N
XLogP0.56
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methyl-1H-pyrimidin-6-one (CID 146497745) is 2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methyl-1H-pyrimidin-6-one is COc1nn(C)cc1Nc1ncc(C)c(=O)[nH]1.
What is the InChIKey of 2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methyl-1H-pyrimidin-6-one?
The InChIKey is OUKZYQSDPNFYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-6-4-11-10(13-8(6)16)12-7-5-15(2)14-9(7)17-3/h4-5H,1-3H3,(H2,11,12,13,16).
What are the key properties of 2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methyl-1H-pyrimidin-6-one?
2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methyl-1H-pyrimidin-6-one has a molecular weight of 235.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 146497745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).