5-bromo-2-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-ylpyrimidin-4-amine

C11H13BrN4S — CID 113472428

IUPAC5-bromo-2-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2nc(N)c(Br)c(C(C)C)n2)cs1
InChIInChI=1S/C11H13BrN4S/c1-5(2)9-8(12)10(13)16-11(15-9)7-4-17-6(3)14-7/h4-5H,1-3H3,(H2,13,15,16)
InChIKeyCOMRDKUZAFOVFF-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.38
Rot. Bonds2

About 5-bromo-2-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 113472428) has the molecular formula C11H13BrN4S and a molecular weight of 313.22 g/mol. Its IUPAC name is 5-bromo-2-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID113472428
Molecular FormulaC11H13BrN4S
Molecular Weight313.22 g/mol
Exact Mass312.00
IUPAC Name5-bromo-2-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCc1nc(-c2nc(N)c(Br)c(C(C)C)n2)cs1
InChIInChI=1S/C11H13BrN4S/c1-5(2)9-8(12)10(13)16-11(15-9)7-4-17-6(3)14-7/h4-5H,1-3H3,(H2,13,15,16)
InChIKeyCOMRDKUZAFOVFF-UHFFFAOYSA-N
XLogP3.38
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine
CID 66300484
5-bromo-2-(1-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 66298716
5-bromo-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 66299701
5-bromo-2-(3-methylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 113455467
5-bromo-2-(4-fluoro-2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 81277953
5-bromo-2-(4-methylsulfanylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66297936
4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103382767
2-(2-methyl-1,3-thiazol-4-yl)pyrimidin-4-amine
CID 67175888
5-bromo-6-propan-2-yl-2-(3-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 66296589
4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole
CID 114031072
4-(4-methoxy-6-methylpyrimidin-2-yl)-2-methyl-1,3-thiazole
CID 2745334
5-(2-methyl-1,3-thiazol-4-yl)furan-2-amine
CID 3016977

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-ylpyrimidin-4-amine (CID 113472428) is 5-bromo-2-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-ylpyrimidin-4-amine is Cc1nc(-c2nc(N)c(Br)c(C(C)C)n2)cs1.
What is the InChIKey of 5-bromo-2-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is COMRDKUZAFOVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4S/c1-5(2)9-8(12)10(13)16-11(15-9)7-4-17-6(3)14-7/h4-5H,1-3H3,(H2,13,15,16).
What are the key properties of 5-bromo-2-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 313.22 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 113472428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).