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

C15H18BrN3 — CID 103083738

IUPAC2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(-c2ccc(Br)cc2C)n1
InChIInChI=1S/C15H18BrN3/c1-4-7-17-14-9-11(3)18-15(19-14)13-6-5-12(16)8-10(13)2/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyNOSKSJOGJVWSNZ-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.34
Rot. Bonds4

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

2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 103083738) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine
PubChem CID103083738
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(-c2ccc(Br)cc2C)n1
InChIInChI=1S/C15H18BrN3/c1-4-7-17-14-9-11(3)18-15(19-14)13-6-5-12(16)8-10(13)2/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19)
InChIKeyNOSKSJOGJVWSNZ-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 62192485
2-(4-bromo-2-methylphenyl)-6-tert-butyl-N-ethylpyrimidin-4-amine
CID 103083746
2-(2-methoxy-4-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106793012
2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 103083750
2-(2,5-dimethylthiophen-3-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 62202584
2-(4-bromo-2-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 103083742
2-[(5-bromo-2-methylphenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 107285486
2-(4-tert-butylphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 63485987
2-[(4-bromophenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 55135198
2-(4-bromo-3-fluorophenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 81442424
2-(5-fluoro-2-pyridinyl)-6-methyl-N-propylpyrimidin-4-amine
CID 79718258
5-bromo-2-(4-bromo-2-methylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 103083781

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine (CID 103083738) is 2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(-c2ccc(Br)cc2C)n1.
What is the InChIKey of 2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is NOSKSJOGJVWSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-4-7-17-14-9-11(3)18-15(19-14)13-6-5-12(16)8-10(13)2/h5-6,8-9H,4,7H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine?
2-(4-bromo-2-methylphenyl)-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 320.23 g/mol, XLogP of 4.34, 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)-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 103083738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).