N-(3-bromo-4-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine

C15H13BrN4S — CID 11473903

IUPACN-(3-bromo-4-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine
SMILESCc1nc(-c2ccnc(Nc3ccc(C)c(Br)c3)n2)cs1
InChIInChI=1S/C15H13BrN4S/c1-9-3-4-11(7-12(9)16)19-15-17-6-5-13(20-15)14-8-21-10(2)18-14/h3-8H,1-2H3,(H,17,19,20)
InChIKeyPAZBJGLHLWDXNA-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.72
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine

N-(3-bromo-4-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine (PubChem CID 11473903) has the molecular formula C15H13BrN4S and a molecular weight of 361.27 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine
PubChem CID11473903
Molecular FormulaC15H13BrN4S
Molecular Weight361.27 g/mol
Exact Mass360.00
IUPAC NameN-(3-bromo-4-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine
SMILESCc1nc(-c2ccnc(Nc3ccc(C)c(Br)c3)n2)cs1
InChIInChI=1S/C15H13BrN4S/c1-9-3-4-11(7-12(9)16)19-15-17-6-5-13(20-15)14-8-21-10(2)18-14/h3-8H,1-2H3,(H,17,19,20)
InChIKeyPAZBJGLHLWDXNA-UHFFFAOYSA-N
XLogP4.72
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 11255564
4-(2-bromo-1,3-thiazol-4-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 11233745
2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881854
N-(3-bromo-4-methylphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
CID 15952210
2-N-(3-bromo-4-methylphenyl)-4-N-butylpyrimidine-2,4-diamine
CID 112882918
2-N-(3-bromo-4-methylphenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901813
2-N-(3-bromo-4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893750
2-N-(3-bromo-4-methylphenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902908
2-N-(3-bromo-4-methylphenyl)-4-N-(3-chlorophenyl)pyrimidine-2,4-diamine
CID 112903672
N-[4-(4-benzylpiperazin-1-yl)phenyl]-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 11487559
2-N-(1,3-benzodioxol-5-yl)-4-N-(3-bromo-4-methylphenyl)pyrimidine-2,4-diamine
CID 112904503
4-N-(3-bromo-4-methylphenyl)-2-N-[2-(dimethylamino)ethyl]pyrimidine-2,4-diamine
CID 112887204

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine (CID 11473903) is N-(3-bromo-4-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine is Cc1nc(-c2ccnc(Nc3ccc(C)c(Br)c3)n2)cs1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine?
The InChIKey is PAZBJGLHLWDXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4S/c1-9-3-4-11(7-12(9)16)19-15-17-6-5-13(20-15)14-8-21-10(2)18-14/h3-8H,1-2H3,(H,17,19,20).
What are the key properties of N-(3-bromo-4-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine?
N-(3-bromo-4-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine has a molecular weight of 361.27 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 11473903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).