N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine

C16H17BrClN3 — CID 80979147

IUPACN-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NC(C)c1cccc(Br)c1
InChIInChI=1S/C16H17BrClN3/c1-9-14(18)20-16(11-6-7-11)21-15(9)19-10(2)12-4-3-5-13(17)8-12/h3-5,8,10-11H,6-7H2,1-2H3,(H,19,20,21)
InChIKeyFONARINBKILHDZ-UHFFFAOYSA-N
MW366.69 g/mol
LogP5.25
Rot. Bonds4

About N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine

N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine (PubChem CID 80979147) has the molecular formula C16H17BrClN3 and a molecular weight of 366.69 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
PubChem CID80979147
Molecular FormulaC16H17BrClN3
Molecular Weight366.69 g/mol
Exact Mass365.03
IUPAC NameN-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NC(C)c1cccc(Br)c1
InChIInChI=1S/C16H17BrClN3/c1-9-14(18)20-16(11-6-7-11)21-15(9)19-10(2)12-4-3-5-13(17)8-12/h3-5,8,10-11H,6-7H2,1-2H3,(H,19,20,21)
InChIKeyFONARINBKILHDZ-UHFFFAOYSA-N
XLogP5.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.69
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-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-2-cyclopropyl-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methylpyrimidin-4-amine
CID 80979822
4-N-[1-(3-bromophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80807914
6-bromo-2-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
CID 164897536
6-chloro-2-cyclopropyl-5-methyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80974160
4-N-[1-(3-bromophenyl)ethyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80986912
N-(5-bromo-2-methoxyphenyl)-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80979347
4-N-[1-(3-bromophenyl)ethyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80808005
methyl 6-[1-(4-bromophenyl)ethylamino]-5-chloro-2-cyclopropylpyrimidine-4-carboxylate
CID 58220831
6-chloro-2-cyclopropyl-5-methyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80974347
6-chloro-2-cyclopropyl-N-[(3-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 80970425
N-[1-(3-bromophenyl)ethyl]-2-chloroaniline
CID 43104592
2-N-[1-(3-bromophenyl)ethyl]-3-methylpyridine-2,5-diamine
CID 62475884

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine (CID 80979147) is N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NC(C)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
The InChIKey is FONARINBKILHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN3/c1-9-14(18)20-16(11-6-7-11)21-15(9)19-10(2)12-4-3-5-13(17)8-12/h3-5,8,10-11H,6-7H2,1-2H3,(H,19,20,21).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine?
N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine has a molecular weight of 366.69 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80979147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).