2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine

C11H15N5 — CID 80857482

IUPAC2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1nc(N)cc(-n2ccc(C(C)C)n2)n1
InChIInChI=1S/C11H15N5/c1-7(2)9-4-5-16(15-9)11-6-10(12)13-8(3)14-11/h4-7H,1-3H3,(H2,12,13,14)
InChIKeyYXLOVNRANIKIET-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.68
Rot. Bonds2

About 2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine

2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 80857482) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID80857482
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1nc(N)cc(-n2ccc(C(C)C)n2)n1
InChIInChI=1S/C11H15N5/c1-7(2)9-4-5-16(15-9)11-6-10(12)13-8(3)14-11/h4-7H,1-3H3,(H2,12,13,14)
InChIKeyYXLOVNRANIKIET-UHFFFAOYSA-N
XLogP1.68
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine (CID 80857482) is 2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine is Cc1nc(N)cc(-n2ccc(C(C)C)n2)n1.
What is the InChIKey of 2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is YXLOVNRANIKIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-7(2)9-4-5-16(15-9)11-6-10(12)13-8(3)14-11/h4-7H,1-3H3,(H2,12,13,14).
What are the key properties of 2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine?
2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 217.28 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80857482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).