6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine

C10H7Cl2N3 — CID 61279778

IUPAC6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine
SMILESClc1ccc(Nc2cc(Cl)ncn2)cc1
InChIInChI=1S/C10H7Cl2N3/c11-7-1-3-8(4-2-7)15-10-5-9(12)13-6-14-10/h1-6H,(H,13,14,15)
InChIKeyOLIKUFFCLVIJHD-UHFFFAOYSA-N
MW240.09 g/mol
LogP3.53
Rot. Bonds2

About 6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine

6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine (PubChem CID 61279778) has the molecular formula C10H7Cl2N3 and a molecular weight of 240.09 g/mol. Its IUPAC name is 6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine
PubChem CID61279778
Molecular FormulaC10H7Cl2N3
Molecular Weight240.09 g/mol
Exact Mass239.00
IUPAC Name6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine
SMILESClc1ccc(Nc2cc(Cl)ncn2)cc1
InChIInChI=1S/C10H7Cl2N3/c11-7-1-3-8(4-2-7)15-10-5-9(12)13-6-14-10/h1-6H,(H,13,14,15)
InChIKeyOLIKUFFCLVIJHD-UHFFFAOYSA-N
XLogP3.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(6-chloropyrimidin-4-yl)amino]phenol
CID 18009128
6-chloro-N-phenylpyrimidin-4-amine;hydrochloride
CID 86673656
6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 63548572
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
4-N-(2-chlorophenyl)-6-N-(4-chlorophenyl)pyrimidine-4,6-diamine
CID 112865740
2-[4-[(6-chloropyrimidin-4-yl)amino]phenoxy]ethanol
CID 86753852
N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine
CID 61277543
6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
CID 130156888
4-N-(4-chlorophenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855365
N-(1,3-benzodioxol-5-yl)-6-chloropyrimidin-4-amine
CID 60727029
N-(3-bromophenyl)-6-chloropyrimidin-4-amine
CID 61279992
N-[3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865842

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine (CID 61279778) is 6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine is Clc1ccc(Nc2cc(Cl)ncn2)cc1.
What is the InChIKey of 6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine?
The InChIKey is OLIKUFFCLVIJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3/c11-7-1-3-8(4-2-7)15-10-5-9(12)13-6-14-10/h1-6H,(H,13,14,15).
What are the key properties of 6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine?
6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine has a molecular weight of 240.09 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 61279778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).