2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine

C15H18BrN3 — CID 103083742

IUPAC2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2ccc(Br)cc2C)n1
InChIInChI=1S/C15H18BrN3/c1-4-5-12-9-14(17-3)19-15(18-12)13-7-6-11(16)8-10(13)2/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyJWYGUOFVMPYDRJ-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.21
Rot. Bonds4

About 2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine

2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 103083742) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
PubChem CID103083742
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NC)nc(-c2ccc(Br)cc2C)n1
InChIInChI=1S/C15H18BrN3/c1-4-5-12-9-14(17-3)19-15(18-12)13-7-6-11(16)8-10(13)2/h6-9H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyJWYGUOFVMPYDRJ-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-3,4-difluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 107539712
2-(4-bromo-3,5-dimethylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 114330950
2-(2,4-dichlorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 63480481
2-(4-bromo-2-methylphenyl)-4,6-dichloro-5-propylpyrimidine
CID 103083580
2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 103083738
N-methyl-2-(2-methyl-5-nitrophenyl)-6-propylpyrimidin-4-amine
CID 62190372
2-(1,5-dimethylpyrazol-4-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 79584315
2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine
CID 103083746
2-(5-bromo-2-methoxyphenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 63479481
N-methyl-6-propyl-2-quinolin-4-ylpyrimidin-4-amine
CID 63867494
6-ethyl-N-methyl-2-(2-methylphenyl)pyrimidin-4-amine
CID 62190207
5-bromo-2-(4-bromo-2-methylphenyl)-6-propylpyrimidin-4-amine
CID 103083787

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine (CID 103083742) is 2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine is CCCc1cc(NC)nc(-c2ccc(Br)cc2C)n1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is JWYGUOFVMPYDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-4-5-12-9-14(17-3)19-15(18-12)13-7-6-11(16)8-10(13)2/h6-9H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine?
2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 320.23 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 103083742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).