N-(2-chlorophenyl)pyrimidin-4-amine

C10H8ClN3 — CID 174441360

IUPACN-(2-chlorophenyl)pyrimidin-4-amine
SMILESClc1ccccc1Nc1ccncn1
InChIInChI=1S/C10H8ClN3/c11-8-3-1-2-4-9(8)14-10-5-6-12-7-13-10/h1-7H,(H,12,13,14)
InChIKeyDIUNWWQDLZACRF-UHFFFAOYSA-N
MW205.65 g/mol
LogP2.87
Rot. Bonds2

About N-(2-chlorophenyl)pyrimidin-4-amine

N-(2-chlorophenyl)pyrimidin-4-amine (PubChem CID 174441360) has the molecular formula C10H8ClN3 and a molecular weight of 205.65 g/mol. Its IUPAC name is N-(2-chlorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)pyrimidin-4-amine
PubChem CID174441360
Molecular FormulaC10H8ClN3
Molecular Weight205.65 g/mol
Exact Mass205.04
IUPAC NameN-(2-chlorophenyl)pyrimidin-4-amine
SMILESClc1ccccc1Nc1ccncn1
InChIInChI=1S/C10H8ClN3/c11-8-3-1-2-4-9(8)14-10-5-6-12-7-13-10/h1-7H,(H,12,13,14)
InChIKeyDIUNWWQDLZACRF-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-N,6-N-bis(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112865738
2-(pyrimidin-4-ylamino)benzenesulfonamide
CID 69322582
N-[(2-chlorophenyl)methyl]pyrimidin-4-amine
CID 61253357
4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine
CID 112865740
N-(2-chlorophenyl)-2-hydrazinylpyrimidin-4-amine
CID 80928115
4-N-tert-butyl-6-N-(2-chlorophenyl)pyrimidine-4,6-diamine
CID 112863787
N-(2-chlorophenyl)pyrimidin-5-amine
CID 82536995
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19147893
2-chloro-N-(2-pyrimidin-4-ylsulfanylethyl)aniline
CID 63696087
4-N-(2-chlorophenyl)-2-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112903612
6-(2-chloroanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338941
N-(3,5-diphenylphenyl)pyrimidin-4-amine
CID 177073734

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)pyrimidin-4-amine?
The IUPAC name of N-(2-chlorophenyl)pyrimidin-4-amine (CID 174441360) is N-(2-chlorophenyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)pyrimidin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)pyrimidin-4-amine is Clc1ccccc1Nc1ccncn1.
What is the InChIKey of N-(2-chlorophenyl)pyrimidin-4-amine?
The InChIKey is DIUNWWQDLZACRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3/c11-8-3-1-2-4-9(8)14-10-5-6-12-7-13-10/h1-7H,(H,12,13,14).
What are the key properties of N-(2-chlorophenyl)pyrimidin-4-amine?
N-(2-chlorophenyl)pyrimidin-4-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-4-amine is sourced from PubChem (CID 174441360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).