6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine

C15H16BrN3 — CID 80952338

IUPAC6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(-c2ccc(Br)cc2)nc(C2CC2)n1
InChIInChI=1S/C15H16BrN3/c1-2-17-14-9-13(10-5-7-12(16)8-6-10)18-15(19-14)11-3-4-11/h5-9,11H,2-4H2,1H3,(H,17,18,19)
InChIKeyUJJBVQMNTLHTDE-UHFFFAOYSA-N
MW318.22 g/mol
LogP4.22
Rot. Bonds4

About 6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine

6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine (PubChem CID 80952338) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
PubChem CID80952338
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC Name6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(-c2ccc(Br)cc2)nc(C2CC2)n1
InChIInChI=1S/C15H16BrN3/c1-2-17-14-9-13(10-5-7-12(16)8-6-10)18-15(19-14)11-3-4-11/h5-9,11H,2-4H2,1H3,(H,17,18,19)
InChIKeyUJJBVQMNTLHTDE-UHFFFAOYSA-N
XLogP4.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80952474
4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80960649
2-cyclopropyl-6-N-ethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955815
6-cyclopropyl-N-ethyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65402191
2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine
CID 80952411
6-cyclopropyl-N-ethyl-2-(4-ethylcyclohexyl)pyrimidin-4-amine
CID 65389352
6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80963648
6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965597
2-cyclopropyl-6-N-ethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80968126
2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine
CID 80949016
2-cyclopropyl-6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
CID 80957729
2-cyclopropyl-6-N-ethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80960959

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine (CID 80952338) is 6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine is CCNc1cc(-c2ccc(Br)cc2)nc(C2CC2)n1.
What is the InChIKey of 6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The InChIKey is UJJBVQMNTLHTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c1-2-17-14-9-13(10-5-7-12(16)8-6-10)18-15(19-14)11-3-4-11/h5-9,11H,2-4H2,1H3,(H,17,18,19).
What are the key properties of 6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine?
6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine has a molecular weight of 318.22 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80952338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).