N-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine

C14H13BrClN3 — CID 82767025

IUPACN-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine
SMILESCc1ccc(Br)c(Nc2cc(Cl)nc(C3CC3)n2)c1
InChIInChI=1S/C14H13BrClN3/c1-8-2-5-10(15)11(6-8)17-13-7-12(16)18-14(19-13)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,17,18,19)
InChIKeyMICZLARHJVKUBB-UHFFFAOYSA-N
MW338.64 g/mol
LogP4.82
Rot. Bonds3

About N-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine

N-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine (PubChem CID 82767025) has the molecular formula C14H13BrClN3 and a molecular weight of 338.64 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine
PubChem CID82767025
Molecular FormulaC14H13BrClN3
Molecular Weight338.64 g/mol
Exact Mass337.00
IUPAC NameN-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine
SMILESCc1ccc(Br)c(Nc2cc(Cl)nc(C3CC3)n2)c1
InChIInChI=1S/C14H13BrClN3/c1-8-2-5-10(15)11(6-8)17-13-7-12(16)18-14(19-13)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,17,18,19)
InChIKeyMICZLARHJVKUBB-UHFFFAOYSA-N
XLogP4.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.64
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-(2-chloro-4-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948882
N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 102854536
6-chloro-N-(5-chloro-2-methylphenyl)-2-cyclopropylpyrimidin-4-amine
CID 80948774
N-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 82766798
4-N-(2-chloro-5-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 107638910
N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-hydrazinylpyrimidin-4-amine
CID 80969702
2-cyclopropyl-N-(2,5-dimethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80968268
4-N-(2-chloro-4-methylphenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80957024
6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80948779
4-N-(2-bromo-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 82759241
6-chloro-2-cyclopropyl-N-(1-methylpyrazol-3-yl)pyrimidin-4-amine
CID 80951240
N-(2-bromo-5-methylphenyl)-4-chloro-1,3-thiazol-2-amine
CID 83155520

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine?
The IUPAC name of N-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine (CID 82767025) is N-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine is Cc1ccc(Br)c(Nc2cc(Cl)nc(C3CC3)n2)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine?
The InChIKey is MICZLARHJVKUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3/c1-8-2-5-10(15)11(6-8)17-13-7-12(16)18-14(19-13)9-3-4-9/h2,5-7,9H,3-4H2,1H3,(H,17,18,19).
What are the key properties of N-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine?
N-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine has a molecular weight of 338.64 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-6-chloro-2-cyclopropylpyrimidin-4-amine is sourced from PubChem (CID 82767025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).