2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

C13H13ClN6S — CID 107125410

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCNc1cc(-c2cnn(C)c2)nc(-c2ncc(Cl)s2)n1
InChIInChI=1S/C13H13ClN6S/c1-3-15-11-4-9(8-5-17-20(2)7-8)18-12(19-11)13-16-6-10(14)21-13/h4-7H,3H2,1-2H3,(H,15,18,19)
InChIKeyJMMZUHRILBGUGY-UHFFFAOYSA-N
MW320.81 g/mol
LogP3.09
Rot. Bonds4

About 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine

2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (PubChem CID 107125410) has the molecular formula C13H13ClN6S and a molecular weight of 320.81 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
PubChem CID107125410
Molecular FormulaC13H13ClN6S
Molecular Weight320.81 g/mol
Exact Mass320.06
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
SMILESCCNc1cc(-c2cnn(C)c2)nc(-c2ncc(Cl)s2)n1
InChIInChI=1S/C13H13ClN6S/c1-3-15-11-4-9(8-5-17-20(2)7-8)18-12(19-11)13-16-6-10(14)21-13/h4-7H,3H2,1-2H3,(H,15,18,19)
InChIKeyJMMZUHRILBGUGY-UHFFFAOYSA-N
XLogP3.09
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-phenylpyrimidin-4-amine
CID 107125311
N-ethyl-6-(1-methylpyrazol-4-yl)-2-pyrimidin-4-ylpyrimidin-4-amine
CID 106715921
N-ethyl-2-(3-methylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 106715906
N-ethyl-6-(1-methylpyrazol-4-yl)-2-propylpyrimidin-4-amine
CID 80945798
2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
CID 107125310
[2-(5-ethylthiophen-2-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716236
2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 107125389
[2-(1-methylpyrazol-3-yl)-6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]hydrazine
CID 106716205
2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 80953067
[6-(1-methylpyrazol-4-yl)-2-pyridin-4-ylpyrimidin-4-yl]hydrazine
CID 106716187
6-(1-methylpyrazol-4-yl)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102716615
N-methyl-6-(1-methylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
CID 106716000

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine (CID 107125410) is 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is CCNc1cc(-c2cnn(C)c2)nc(-c2ncc(Cl)s2)n1.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
The InChIKey is JMMZUHRILBGUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN6S/c1-3-15-11-4-9(8-5-17-20(2)7-8)18-12(19-11)13-16-6-10(14)21-13/h4-7H,3H2,1-2H3,(H,15,18,19).
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine?
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine has a molecular weight of 320.81 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 107125410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).