1-[2-(4-aminopyrazol-1-yl)ethyl]-4,6-dimethylpyrimidin-2-one

C11H15N5O — CID 55039442

IUPAC1-[2-(4-aminopyrazol-1-yl)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCn2cc(N)cn2)c(=O)n1
InChIInChI=1S/C11H15N5O/c1-8-5-9(2)16(11(17)14-8)4-3-15-7-10(12)6-13-15/h5-7H,3-4,12H2,1-2H3
InChIKeyPRPKQAOFIBTMFN-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.34
Rot. Bonds3

About 1-[2-(4-aminopyrazol-1-yl)ethyl]-4,6-dimethylpyrimidin-2-one

1-[2-(4-aminopyrazol-1-yl)ethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 55039442) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 1-[2-(4-aminopyrazol-1-yl)ethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(4-aminopyrazol-1-yl)ethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID55039442
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name1-[2-(4-aminopyrazol-1-yl)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCn2cc(N)cn2)c(=O)n1
InChIInChI=1S/C11H15N5O/c1-8-5-9(2)16(11(17)14-8)4-3-15-7-10(12)6-13-15/h5-7H,3-4,12H2,1-2H3
InChIKeyPRPKQAOFIBTMFN-UHFFFAOYSA-N
XLogP0.34
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopyrazol-1-yl)ethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-(4-aminopyrazol-1-yl)ethyl]-4,6-dimethylpyrimidin-2-one (CID 55039442) is 1-[2-(4-aminopyrazol-1-yl)ethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-(4-aminopyrazol-1-yl)ethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-(4-aminopyrazol-1-yl)ethyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CCn2cc(N)cn2)c(=O)n1.
What is the InChIKey of 1-[2-(4-aminopyrazol-1-yl)ethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is PRPKQAOFIBTMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-5-9(2)16(11(17)14-8)4-3-15-7-10(12)6-13-15/h5-7H,3-4,12H2,1-2H3.
What are the key properties of 1-[2-(4-aminopyrazol-1-yl)ethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-(4-aminopyrazol-1-yl)ethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 233.28 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopyrazol-1-yl)ethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 55039442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).