2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine

C13H19N5 — CID 79584315

IUPAC2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2cnn(C)c2C)n1
InChIInChI=1S/C13H19N5/c1-5-6-10-7-12(14-3)17-13(16-10)11-8-15-18(4)9(11)2/h7-8H,5-6H2,1-4H3,(H,14,16,17)
InChIKeyVSJCIWCVQCUJJP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.18
Rot. Bonds4

About 2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine

2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 79584315) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine
PubChem CID79584315
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2cnn(C)c2C)n1
InChIInChI=1S/C13H19N5/c1-5-6-10-7-12(14-3)17-13(16-10)11-8-15-18(4)9(11)2/h7-8H,5-6H2,1-4H3,(H,14,16,17)
InChIKeyVSJCIWCVQCUJJP-UHFFFAOYSA-N
XLogP2.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine (CID 79584315) is 2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine is CCCc1cc(NC)nc(-c2cnn(C)c2C)n1.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is VSJCIWCVQCUJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-5-6-10-7-12(14-3)17-13(16-10)11-8-15-18(4)9(11)2/h7-8H,5-6H2,1-4H3,(H,14,16,17).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine?
2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 79584315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).