2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine

C15H18BrN3 — CID 114330961

IUPAC2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(-c2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C15H18BrN3/c1-4-6-17-13-5-7-18-15(19-13)12-8-10(2)14(16)11(3)9-12/h5,7-9H,4,6H2,1-3H3,(H,17,18,19)
InChIKeyOFCYLTWLRLQDPM-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.34
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine

2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine (PubChem CID 114330961) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
PubChem CID114330961
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(-c2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C15H18BrN3/c1-4-6-17-13-5-7-18-15(19-13)12-8-10(2)14(16)11(3)9-12/h5,7-9H,4,6H2,1-3H3,(H,17,18,19)
InChIKeyOFCYLTWLRLQDPM-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

2-(3-bromophenyl)-N-propylpyrimidin-4-amine
CID 55135437
N-propyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 62201721
2-naphthalen-2-yl-N-propylpyrimidin-4-amine
CID 62202615
2-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 62191848
2-(3-bromofuran-2-yl)-N-propylpyrimidin-4-amine
CID 106889197
2-(5-methylthiophen-2-yl)-N-propylpyrimidin-4-amine
CID 62203140
2-(4-bromo-3,5-dimethylphenyl)-4-chloropyrimidine
CID 114329490
2-(2-bromo-4,5-dimethoxyphenyl)-N-propylpyrimidin-4-amine
CID 62202434
6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine
CID 107580627
2-(5-methylfuran-2-yl)-N-propylpyrimidin-4-amine
CID 62203835
2-(1-ethylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 103570486
2-N-(3-bromo-4-methylphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881854

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine (CID 114330961) is 2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine is CCCNc1ccnc(-c2cc(C)c(Br)c(C)c2)n1.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine?
The InChIKey is OFCYLTWLRLQDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-4-6-17-13-5-7-18-15(19-13)12-8-10(2)14(16)11(3)9-12/h5,7-9H,4,6H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(4-bromo-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine?
2-(4-bromo-3,5-dimethylphenyl)-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-3,5-dimethylphenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 114330961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).