6-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpyrimidin-4-amine

C12H17N5 — CID 53015112

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(NC(C)C)ncn2)n1
InChIInChI=1S/C12H17N5/c1-8(2)15-11-6-12(14-7-13-11)17-10(4)5-9(3)16-17/h5-8H,1-4H3,(H,13,14,15)
InChIKeyOHMRYKKTRUJUMR-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.10
Rot. Bonds3

About 6-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpyrimidin-4-amine

6-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpyrimidin-4-amine (PubChem CID 53015112) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpyrimidin-4-amine
PubChem CID53015112
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(C)n(-c2cc(NC(C)C)ncn2)n1
InChIInChI=1S/C12H17N5/c1-8(2)15-11-6-12(14-7-13-11)17-10(4)5-9(3)16-17/h5-8H,1-4H3,(H,13,14,15)
InChIKeyOHMRYKKTRUJUMR-UHFFFAOYSA-N
XLogP2.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpyrimidin-4-amine (CID 53015112) is 6-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpyrimidin-4-amine is Cc1cc(C)n(-c2cc(NC(C)C)ncn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is OHMRYKKTRUJUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-8(2)15-11-6-12(14-7-13-11)17-10(4)5-9(3)16-17/h5-8H,1-4H3,(H,13,14,15).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpyrimidin-4-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 53015112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).