N-(3-bromophenyl)-6-chloropyrimidin-4-amine

C10H7BrClN3 — CID 61279992

IUPACN-(3-bromophenyl)-6-chloropyrimidin-4-amine
SMILESClc1cc(Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C10H7BrClN3/c11-7-2-1-3-8(4-7)15-10-5-9(12)13-6-14-10/h1-6H,(H,13,14,15)
InChIKeyWIVOPLZRWGXNOC-UHFFFAOYSA-N
MW284.54 g/mol
LogP3.64
Rot. Bonds2

About N-(3-bromophenyl)-6-chloropyrimidin-4-amine

N-(3-bromophenyl)-6-chloropyrimidin-4-amine (PubChem CID 61279992) has the molecular formula C10H7BrClN3 and a molecular weight of 284.54 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-chloropyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-chloropyrimidin-4-amine
PubChem CID61279992
Molecular FormulaC10H7BrClN3
Molecular Weight284.54 g/mol
Exact Mass282.95
IUPAC NameN-(3-bromophenyl)-6-chloropyrimidin-4-amine
SMILESClc1cc(Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C10H7BrClN3/c11-7-2-1-3-8(4-7)15-10-5-9(12)13-6-14-10/h1-6H,(H,13,14,15)
InChIKeyWIVOPLZRWGXNOC-UHFFFAOYSA-N
XLogP3.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.54
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-bromophenyl)pyrimidine-4,6-diamine
CID 80760494
N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928582
6-chloro-N-phenylpyrimidin-4-amine;hydrochloride
CID 86673656
1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 79033222
4-N-(3-bromophenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,6-diamine
CID 112860035
3-[[6-(3-bromoanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193173
N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine
CID 61277543
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine
CID 61279778
4-N-(3-bromophenyl)-6-N-[3-(prop-2-enylamino)phenyl]pyrimidine-4,6-diamine
CID 151427006
6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 63548572
4-[(6-chloropyrimidin-4-yl)amino]phenol
CID 18009128

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-chloropyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6-chloropyrimidin-4-amine (CID 61279992) is N-(3-bromophenyl)-6-chloropyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-chloropyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6-chloropyrimidin-4-amine is Clc1cc(Nc2cccc(Br)c2)ncn1.
What is the InChIKey of N-(3-bromophenyl)-6-chloropyrimidin-4-amine?
The InChIKey is WIVOPLZRWGXNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN3/c11-7-2-1-3-8(4-7)15-10-5-9(12)13-6-14-10/h1-6H,(H,13,14,15).
What are the key properties of N-(3-bromophenyl)-6-chloropyrimidin-4-amine?
N-(3-bromophenyl)-6-chloropyrimidin-4-amine has a molecular weight of 284.54 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-chloropyrimidin-4-amine is sourced from PubChem (CID 61279992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).