2-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one

C8H9N5O — CID 145428180

IUPAC2-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one
SMILESCn1ccc(Nc2nccc(=O)[nH]2)n1
InChIInChI=1S/C8H9N5O/c1-13-5-3-6(12-13)10-8-9-4-2-7(14)11-8/h2-5H,1H3,(H2,9,10,11,12,14)
InChIKeyLHUCHCGPPRDBFJ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.25
Rot. Bonds2

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

2-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 145428180) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID145428180
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name2-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one
SMILESCn1ccc(Nc2nccc(=O)[nH]2)n1
InChIInChI=1S/C8H9N5O/c1-13-5-3-6(12-13)10-8-9-4-2-7(14)11-8/h2-5H,1H3,(H2,9,10,11,12,14)
InChIKeyLHUCHCGPPRDBFJ-UHFFFAOYSA-N
XLogP0.25
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one (CID 145428180) is 2-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one is Cn1ccc(Nc2nccc(=O)[nH]2)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is LHUCHCGPPRDBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-13-5-3-6(12-13)10-8-9-4-2-7(14)11-8/h2-5H,1H3,(H2,9,10,11,12,14).
What are the key properties of 2-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one?
2-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 191.19 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 145428180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).