5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine

C11H10BrClN4S — CID 107125379

IUPAC5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ncc(Cl)s2)nc(C2CC2)c1Br
InChIInChI=1S/C11H10BrClN4S/c1-14-9-7(12)8(5-2-3-5)16-10(17-9)11-15-4-6(13)18-11/h4-5H,2-3H2,1H3,(H,14,16,17)
InChIKeyYJPDCOUKLSNLKF-UHFFFAOYSA-N
MW345.65 g/mol
LogP3.94
Rot. Bonds3

About 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine

5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 107125379) has the molecular formula C11H10BrClN4S and a molecular weight of 345.65 g/mol. Its IUPAC name is 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID107125379
Molecular FormulaC11H10BrClN4S
Molecular Weight345.65 g/mol
Exact Mass343.95
IUPAC Name5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2ncc(Cl)s2)nc(C2CC2)c1Br
InChIInChI=1S/C11H10BrClN4S/c1-14-9-7(12)8(5-2-3-5)16-10(17-9)11-15-4-6(13)18-11/h4-5H,2-3H2,1H3,(H,14,16,17)
InChIKeyYJPDCOUKLSNLKF-UHFFFAOYSA-N
XLogP3.94
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.65
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-N-methylpyrimidin-4-amine
CID 107125354
5-bromo-2-(3-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 115381230
5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 66304168
5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 114331016
2-(5-chloro-1,3-thiazol-2-yl)-6-ethyl-5-iodo-N-methylpyrimidin-4-amine
CID 107125357
5-bromo-6-cyclopropyl-N-methyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 66296102
5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66302950
5-bromo-6-cyclopropyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 66304583
2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 102844086
2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 66297835
2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropylpyrimidin-4-amine
CID 107125320
5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301926

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine (CID 107125379) is 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine is CNc1nc(-c2ncc(Cl)s2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is YJPDCOUKLSNLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4S/c1-14-9-7(12)8(5-2-3-5)16-10(17-9)11-15-4-6(13)18-11/h4-5H,2-3H2,1H3,(H,14,16,17).
What are the key properties of 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 345.65 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-chloro-1,3-thiazol-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 107125379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).