6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine

C12H12ClN3 — CID 61277140

IUPAC6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine
SMILESCCc1ccccc1Nc1cc(Cl)ncn1
InChIInChI=1S/C12H12ClN3/c1-2-9-5-3-4-6-10(9)16-12-7-11(13)14-8-15-12/h3-8H,2H2,1H3,(H,14,15,16)
InChIKeyIVLCDURDNBFUAH-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.44
Rot. Bonds3

About 6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine

6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine (PubChem CID 61277140) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine
PubChem CID61277140
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine
SMILESCCc1ccccc1Nc1cc(Cl)ncn1
InChIInChI=1S/C12H12ClN3/c1-2-9-5-3-4-6-10(9)16-12-7-11(13)14-8-15-12/h3-8H,2H2,1H3,(H,14,15,16)
InChIKeyIVLCDURDNBFUAH-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-cyclopropyl-6-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 112854775
4-N-(2-ethylphenyl)-6-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112865366
N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109357249
6-chloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine
CID 145311319
4-N-(2-ethylphenyl)-6-N-(2-methoxyethyl)pyrimidine-4,6-diamine
CID 112856738
6-chloro-N-(2-ethylphenyl)pyridin-2-amine
CID 63588591
6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338538
N-[2-[(6-chloropyrimidin-4-yl)amino]phenyl]-N-methylmethanesulfonamide
CID 155414964
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
6-(2-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350581
methyl 3-[[6-(2-ethylanilino)pyrimidin-4-yl]amino]benzoate
CID 112865380
6-(2-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354320

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine (CID 61277140) is 6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine is CCc1ccccc1Nc1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine?
The InChIKey is IVLCDURDNBFUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-2-9-5-3-4-6-10(9)16-12-7-11(13)14-8-15-12/h3-8H,2H2,1H3,(H,14,15,16).
What are the key properties of 6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine?
6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine has a molecular weight of 233.70 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-ethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 61277140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).