N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine

C10H6BrCl2N3 — CID 81280685

IUPACN-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine
SMILESClc1ccc(Nc2ccnc(Cl)n2)c(Br)c1
InChIInChI=1S/C10H6BrCl2N3/c11-7-5-6(12)1-2-8(7)15-9-3-4-14-10(13)16-9/h1-5H,(H,14,15,16)
InChIKeyADWQDVKVZKBEHA-UHFFFAOYSA-N
MW318.99 g/mol
LogP4.29
Rot. Bonds2

About N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine

N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine (PubChem CID 81280685) has the molecular formula C10H6BrCl2N3 and a molecular weight of 318.99 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine
PubChem CID81280685
Molecular FormulaC10H6BrCl2N3
Molecular Weight318.99 g/mol
Exact Mass316.91
IUPAC NameN-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine
SMILESClc1ccc(Nc2ccnc(Cl)n2)c(Br)c1
InChIInChI=1S/C10H6BrCl2N3/c11-7-5-6(12)1-2-8(7)15-9-3-4-14-10(13)16-9/h1-5H,(H,14,15,16)
InChIKeyADWQDVKVZKBEHA-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.99
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4-chlorophenyl)-6-fluoropyridin-2-amine
CID 81281101
N-(2-bromo-4-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 142777197
5-bromo-N-(2-bromo-4-chlorophenyl)-3-chloropyridin-2-amine
CID 103583411
3-chloro-4-[(2-chloropyrimidin-4-yl)amino]benzonitrile
CID 107809620
2-chloro-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 62814283
2-N-(2-bromo-4-chlorophenyl)-4-methylpyridine-2,3-diamine
CID 81262191
2-N-(2-bromo-4-chlorophenyl)-5-methylpyridine-2,4-diamine
CID 83265167
N-(2-bromo-4-methylphenyl)-5-chloropyridin-2-amine
CID 66220531
2-N-(2-bromo-4-chlorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 81262204
2-chloro-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 59828373
N-(2-bromo-4-chlorophenyl)-5-iodopyrimidin-2-amine
CID 116649026
2-chloro-N-naphthalen-1-ylpyrimidin-4-amine
CID 55065329

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine (CID 81280685) is N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine is Clc1ccc(Nc2ccnc(Cl)n2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine?
The InChIKey is ADWQDVKVZKBEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2N3/c11-7-5-6(12)1-2-8(7)15-9-3-4-14-10(13)16-9/h1-5H,(H,14,15,16).
What are the key properties of N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine?
N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine has a molecular weight of 318.99 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-2-chloropyrimidin-4-amine is sourced from PubChem (CID 81280685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).