2-(1,3-dimethylpyrazol-4-yl)-6-(2-methylpropyl)pyrimidin-4-amine

C13H19N5 — CID 83094220

IUPAC2-(1,3-dimethylpyrazol-4-yl)-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCc1nn(C)cc1-c1nc(N)cc(CC(C)C)n1
InChIInChI=1S/C13H19N5/c1-8(2)5-10-6-12(14)16-13(15-10)11-7-18(4)17-9(11)3/h6-8H,5H2,1-4H3,(H2,14,15,16)
InChIKeyLXVOPKNMJHRUNX-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.97
Rot. Bonds3

About 2-(1,3-dimethylpyrazol-4-yl)-6-(2-methylpropyl)pyrimidin-4-amine

2-(1,3-dimethylpyrazol-4-yl)-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 83094220) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID83094220
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCc1nn(C)cc1-c1nc(N)cc(CC(C)C)n1
InChIInChI=1S/C13H19N5/c1-8(2)5-10-6-12(14)16-13(15-10)11-7-18(4)17-9(11)3/h6-8H,5H2,1-4H3,(H2,14,15,16)
InChIKeyLXVOPKNMJHRUNX-UHFFFAOYSA-N
XLogP1.97
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-6-(2-methylpropyl)pyrimidin-4-amine (CID 83094220) is 2-(1,3-dimethylpyrazol-4-yl)-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-6-(2-methylpropyl)pyrimidin-4-amine is Cc1nn(C)cc1-c1nc(N)cc(CC(C)C)n1.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is LXVOPKNMJHRUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-8(2)5-10-6-12(14)16-13(15-10)11-7-18(4)17-9(11)3/h6-8H,5H2,1-4H3,(H2,14,15,16).
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-6-(2-methylpropyl)pyrimidin-4-amine?
2-(1,3-dimethylpyrazol-4-yl)-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dimethylpyrazol-4-yl)-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 83094220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).