6-chloro-N-phenylpyrimidin-4-amine;hydrochloride

C10H9Cl2N3 — CID 86673656

IUPAC6-chloro-N-phenylpyrimidin-4-amine;hydrochloride
SMILESCl.Clc1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C10H8ClN3.ClH/c11-9-6-10(13-7-12-9)14-8-4-2-1-3-5-8;/h1-7H,(H,12,13,14);1H
InChIKeyHZTFHANVQLDYEA-UHFFFAOYSA-N
MW242.11 g/mol
LogP3.30
Rot. Bonds2

About 6-chloro-N-phenylpyrimidin-4-amine;hydrochloride

6-chloro-N-phenylpyrimidin-4-amine;hydrochloride (PubChem CID 86673656) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 6-chloro-N-phenylpyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-phenylpyrimidin-4-amine;hydrochloride
PubChem CID86673656
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name6-chloro-N-phenylpyrimidin-4-amine;hydrochloride
SMILESCl.Clc1cc(Nc2ccccc2)ncn1
InChIInChI=1S/C10H8ClN3.ClH/c11-9-6-10(13-7-12-9)14-8-4-2-1-3-5-8;/h1-7H,(H,12,13,14);1H
InChIKeyHZTFHANVQLDYEA-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 63548572
6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine
CID 61279778
4-[(6-chloropyrimidin-4-yl)amino]phenol
CID 18009128
N-(3-bromophenyl)-6-chloropyrimidin-4-amine
CID 61279992
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
6-chloro-N-(4-phenylmethoxyphenyl)pyrimidin-4-amine
CID 130156888
4-N-phenylpyrimidine-4,6-diamine
CID 3031502
1-N-(6-chloropyrimidin-4-yl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 79033222
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 117085780
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-(2-ethylphenyl)pyrimidin-4-amine
CID 61277140

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-phenylpyrimidin-4-amine;hydrochloride?
The IUPAC name of 6-chloro-N-phenylpyrimidin-4-amine;hydrochloride (CID 86673656) is 6-chloro-N-phenylpyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 6-chloro-N-phenylpyrimidin-4-amine;hydrochloride?
The canonical SMILES for 6-chloro-N-phenylpyrimidin-4-amine;hydrochloride is Cl.Clc1cc(Nc2ccccc2)ncn1.
What is the InChIKey of 6-chloro-N-phenylpyrimidin-4-amine;hydrochloride?
The InChIKey is HZTFHANVQLDYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3.ClH/c11-9-6-10(13-7-12-9)14-8-4-2-1-3-5-8;/h1-7H,(H,12,13,14);1H.
What are the key properties of 6-chloro-N-phenylpyrimidin-4-amine;hydrochloride?
6-chloro-N-phenylpyrimidin-4-amine;hydrochloride has a molecular weight of 242.11 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-phenylpyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 86673656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).