N-(2-chlorophenyl)pyrimidin-5-amine

C10H8ClN3 — CID 82536995

IUPACN-(2-chlorophenyl)pyrimidin-5-amine
SMILESClc1ccccc1Nc1cncnc1
InChIInChI=1S/C10H8ClN3/c11-9-3-1-2-4-10(9)14-8-5-12-7-13-6-8/h1-7,14H
InChIKeyZRSXVGFKYSOGDL-UHFFFAOYSA-N
MW205.65 g/mol
LogP2.87
Rot. Bonds2

About N-(2-chlorophenyl)pyrimidin-5-amine

N-(2-chlorophenyl)pyrimidin-5-amine (PubChem CID 82536995) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is N-(2-chlorophenyl)pyrimidin-5-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)pyrimidin-5-amine
PubChem CID82536995
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC NameN-(2-chlorophenyl)pyrimidin-5-amine
SMILESClc1ccccc1Nc1cncnc1
InChIInChI=1S/C10H8ClN3/c11-9-3-1-2-4-10(9)14-8-5-12-7-13-6-8/h1-7,14H
InChIKeyZRSXVGFKYSOGDL-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-chloroanilino)pyrimidin-5-yl]methanol
CID 28905233
6-(aminomethyl)-N-(2-chlorophenyl)pyridin-3-amine
CID 141279164
N-(2-chlorophenyl)pyrimidin-4-amine
CID 174441360
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
N-(2-chlorophenyl)-3,5-difluoroaniline
CID 82536990
3-chloro-N-phenylpyridin-4-amine
CID 53468349
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19147893
N-(2-chlorophenyl)-1,2,4-triazin-3-amine
CID 135039645
4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine;trihydrate
CID 173416428
N-(2-bromophenyl)-2-chloroaniline
CID 14022259
4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine
CID 112865740
1-[4-(2-chloroanilino)phenyl]-3-phenylurea
CID 112986938

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)pyrimidin-5-amine?
The IUPAC name of N-(2-chlorophenyl)pyrimidin-5-amine (CID 82536995) is N-(2-chlorophenyl)pyrimidin-5-amine.
What is the SMILES notation for N-(2-chlorophenyl)pyrimidin-5-amine?
The canonical SMILES for N-(2-chlorophenyl)pyrimidin-5-amine is Clc1ccccc1Nc1cncnc1.
What is the InChIKey of N-(2-chlorophenyl)pyrimidin-5-amine?
The InChIKey is ZRSXVGFKYSOGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3/c11-9-3-1-2-4-10(9)14-8-5-12-7-13-6-8/h1-7,14H.
What are the key properties of N-(2-chlorophenyl)pyrimidin-5-amine?
N-(2-chlorophenyl)pyrimidin-5-amine has a molecular weight of 205.65 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)pyrimidin-5-amine is sourced from PubChem (CID 82536995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).