2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C10H10ClF3N6 — CID 69281543

IUPAC2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnn(C)c2Cl)ncc1C(F)(F)F
InChIInChI=1S/C10H10ClF3N6/c1-15-8-5(10(12,13)14)3-16-9(19-8)18-6-4-17-20(2)7(6)11/h3-4H,1-2H3,(H2,15,16,18,19)
InChIKeyQSRNIRWKKRHBNL-UHFFFAOYSA-N
MW306.68 g/mol
LogP2.67
Rot. Bonds3

About 2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 69281543) has the molecular formula C10H10ClF3N6 and a molecular weight of 306.68 g/mol. Its IUPAC name is 2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID69281543
Molecular FormulaC10H10ClF3N6
Molecular Weight306.68 g/mol
Exact Mass306.06
IUPAC Name2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2cnn(C)c2Cl)ncc1C(F)(F)F
InChIInChI=1S/C10H10ClF3N6/c1-15-8-5(10(12,13)14)3-16-9(19-8)18-6-4-17-20(2)7(6)11/h3-4H,1-2H3,(H2,15,16,18,19)
InChIKeyQSRNIRWKKRHBNL-UHFFFAOYSA-N
XLogP2.67
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.68
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 69281543) is 2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is CNc1nc(Nc2cnn(C)c2Cl)ncc1C(F)(F)F.
What is the InChIKey of 2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is QSRNIRWKKRHBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N6/c1-15-8-5(10(12,13)14)3-16-9(19-8)18-6-4-17-20(2)7(6)11/h3-4H,1-2H3,(H2,15,16,18,19).
What are the key properties of 2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 306.68 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-chloro-1-methylpyrazol-4-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69281543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).