5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine

C12H15BrN4O — CID 66295171

IUPAC5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2c(C)noc2C)nc(N)c1Br
InChIInChI=1S/C12H15BrN4O/c1-4-5-8-10(13)11(14)16-12(15-8)9-6(2)17-18-7(9)3/h4-5H2,1-3H3,(H2,14,15,16)
InChIKeyFMJSSFGEGTWXAY-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.05
Rot. Bonds3

About 5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine

5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine (PubChem CID 66295171) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine
PubChem CID66295171
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2c(C)noc2C)nc(N)c1Br
InChIInChI=1S/C12H15BrN4O/c1-4-5-8-10(13)11(14)16-12(15-8)9-6(2)17-18-7(9)3/h4-5H2,1-3H3,(H2,14,15,16)
InChIKeyFMJSSFGEGTWXAY-UHFFFAOYSA-N
XLogP3.05
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethyl-6-methylpyrimidin-4-amine
CID 62203510
2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine
CID 62201927
5-bromo-2-methyl-6-propylpyrimidin-4-amine
CID 66307126
2-(3,5-dimethyl-1,2-oxazol-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62201733
5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine
CID 66295909
5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine
CID 66307530
5-bromo-2-(3-cyclopropylimidazol-4-yl)-6-propylpyrimidin-4-amine
CID 66295944
5-bromo-2-(4-bromo-2-methylphenyl)-6-propylpyrimidin-4-amine
CID 103083787
5-bromo-2-pentan-3-yl-6-propylpyrimidin-4-amine
CID 66298060
5-bromo-2-[2-(difluoromethoxy)phenyl]-6-propylpyrimidin-4-amine
CID 66295361
5-bromo-6-propyl-2-quinolin-2-ylpyrimidin-4-amine
CID 66306932
5-bromo-2-(6-methoxypyridazin-3-yl)-6-propylpyrimidin-4-amine
CID 103375014

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine (CID 66295171) is 5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine is CCCc1nc(-c2c(C)noc2C)nc(N)c1Br.
What is the InChIKey of 5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine?
The InChIKey is FMJSSFGEGTWXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-4-5-8-10(13)11(14)16-12(15-8)9-6(2)17-18-7(9)3/h4-5H2,1-3H3,(H2,14,15,16).
What are the key properties of 5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine?
5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine has a molecular weight of 311.18 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66295171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).