N-(4-bromophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine

C14H16BrN3 — CID 169336348

IUPACN-(4-bromophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine
SMILESCCN(c1ccc(Br)cc1)c1nc(C)cc(C)n1
InChIInChI=1S/C14H16BrN3/c1-4-18(13-7-5-12(15)6-8-13)14-16-10(2)9-11(3)17-14/h5-9H,4H2,1-3H3
InChIKeySBKAZNGNVYRSKY-UHFFFAOYSA-N
MW306.21 g/mol
LogP4.01
Rot. Bonds3

About N-(4-bromophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine

N-(4-bromophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine (PubChem CID 169336348) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine
PubChem CID169336348
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC NameN-(4-bromophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine
SMILESCCN(c1ccc(Br)cc1)c1nc(C)cc(C)n1
InChIInChI=1S/C14H16BrN3/c1-4-18(13-7-5-12(15)6-8-13)14-16-10(2)9-11(3)17-14/h5-9H,4H2,1-3H3
InChIKeySBKAZNGNVYRSKY-UHFFFAOYSA-N
XLogP4.01
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-(4-bromophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine (CID 169336348) is N-(4-bromophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-(4-bromophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine is CCN(c1ccc(Br)cc1)c1nc(C)cc(C)n1.
What is the InChIKey of N-(4-bromophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine?
The InChIKey is SBKAZNGNVYRSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-4-18(13-7-5-12(15)6-8-13)14-16-10(2)9-11(3)17-14/h5-9H,4H2,1-3H3.
What are the key properties of N-(4-bromophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine?
N-(4-bromophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine has a molecular weight of 306.21 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-ethyl-4,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 169336348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).