4-[(1-ethylpyrazol-4-yl)amino]-2-methyl-1H-pyrimidin-6-one

C10H13N5O — CID 136956114

IUPAC4-[(1-ethylpyrazol-4-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCn1cc(Nc2cc(=O)[nH]c(C)n2)cn1
InChIInChI=1S/C10H13N5O/c1-3-15-6-8(5-11-15)14-9-4-10(16)13-7(2)12-9/h4-6H,3H2,1-2H3,(H2,12,13,14,16)
InChIKeyDBSOTYIWVWLVAO-UHFFFAOYSA-N
MW219.25 g/mol
LogP1.04
Rot. Bonds3

About 4-[(1-ethylpyrazol-4-yl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(1-ethylpyrazol-4-yl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956114) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 4-[(1-ethylpyrazol-4-yl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-ethylpyrazol-4-yl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136956114
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name4-[(1-ethylpyrazol-4-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCn1cc(Nc2cc(=O)[nH]c(C)n2)cn1
InChIInChI=1S/C10H13N5O/c1-3-15-6-8(5-11-15)14-9-4-10(16)13-7(2)12-9/h4-6H,3H2,1-2H3,(H2,12,13,14,16)
InChIKeyDBSOTYIWVWLVAO-UHFFFAOYSA-N
XLogP1.04
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylpyrazol-4-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-ethylpyrazol-4-yl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136956114) is 4-[(1-ethylpyrazol-4-yl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-ethylpyrazol-4-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-ethylpyrazol-4-yl)amino]-2-methyl-1H-pyrimidin-6-one is CCn1cc(Nc2cc(=O)[nH]c(C)n2)cn1.
What is the InChIKey of 4-[(1-ethylpyrazol-4-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is DBSOTYIWVWLVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-3-15-6-8(5-11-15)14-9-4-10(16)13-7(2)12-9/h4-6H,3H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 4-[(1-ethylpyrazol-4-yl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(1-ethylpyrazol-4-yl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 219.25 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylpyrazol-4-yl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).