6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine

C14H16BrN3 — CID 113324696

IUPAC6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(-c2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrN3/c1-3-5-13-17-12(9-14(16-2)18-13)10-6-4-7-11(15)8-10/h4,6-9H,3,5H2,1-2H3,(H,16,17,18)
InChIKeyBUAHVAXQCJFIQC-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.90
Rot. Bonds4

About 6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine

6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine (PubChem CID 113324696) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine
PubChem CID113324696
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(-c2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrN3/c1-3-5-13-17-12(9-14(16-2)18-13)10-6-4-7-11(15)8-10/h4,6-9H,3,5H2,1-2H3,(H,16,17,18)
InChIKeyBUAHVAXQCJFIQC-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-6-phenyl-2-propylpyrimidin-4-amine
CID 55045530
6-(3-methoxyphenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80946276
6-(5-bromo-2-fluorophenyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80946081
2-butyl-N-methyl-6-phenylpyrimidin-4-amine
CID 79412255
N-methyl-2-propyl-6-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 80946552
N-methyl-2-propyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80940706
N-ethyl-6-(3-fluorophenyl)-2-propylpyrimidin-4-amine
CID 80945378
4-N-[(3-bromophenyl)methyl]-4-N,6-N-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80942015
6-(furan-2-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80945903
6-(3-bromophenyl)-N-ethyl-2-methylpyrimidin-4-amine
CID 115504032
6-phenyl-N,2-dipropylpyrimidin-4-amine
CID 55193281
N-methyl-6-(5-methylthiophen-2-yl)-2-propylpyrimidin-4-amine
CID 80945811

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine (CID 113324696) is 6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(-c2cccc(Br)c2)n1.
What is the InChIKey of 6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine?
The InChIKey is BUAHVAXQCJFIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-3-5-13-17-12(9-14(16-2)18-13)10-6-4-7-11(15)8-10/h4,6-9H,3,5H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine?
6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine has a molecular weight of 306.21 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-N-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 113324696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).