6-chloro-N-(2,4-dimethylphenyl)-5-ethyl-N-methylpyrimidin-4-amine

C15H18ClN3 — CID 63728165

IUPAC6-chloro-N-(2,4-dimethylphenyl)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1N(C)c1ccc(C)cc1C
InChIInChI=1S/C15H18ClN3/c1-5-12-14(16)17-9-18-15(12)19(4)13-7-6-10(2)8-11(13)3/h6-9H,5H2,1-4H3
InChIKeyLEQBTRGTVRTUES-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.08
Rot. Bonds3

About 6-chloro-N-(2,4-dimethylphenyl)-5-ethyl-N-methylpyrimidin-4-amine

6-chloro-N-(2,4-dimethylphenyl)-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 63728165) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 6-chloro-N-(2,4-dimethylphenyl)-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,4-dimethylphenyl)-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID63728165
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name6-chloro-N-(2,4-dimethylphenyl)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1N(C)c1ccc(C)cc1C
InChIInChI=1S/C15H18ClN3/c1-5-12-14(16)17-9-18-15(12)19(4)13-7-6-10(2)8-11(13)3/h6-9H,5H2,1-4H3
InChIKeyLEQBTRGTVRTUES-UHFFFAOYSA-N
XLogP4.08
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-ethyl-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 63730431
2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 79073469
4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 63550126
N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 55229482
6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine
CID 107637059
N-benzyl-6-chloro-5-ethyl-N-methylpyrimidin-4-amine
CID 63735417
3-(aminomethyl)-N-(2,4-dimethylphenyl)-N,4,6-trimethylpyridin-2-amine
CID 62003686
4-chloro-5-(chloromethyl)-6-(2,4-dimethylphenoxy)pyrimidine
CID 107086680
5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid
CID 63537019
6-chloro-N,5-diethyl-N-propan-2-ylpyrimidin-4-amine
CID 63728063
6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 63728486
6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63730106

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,4-dimethylphenyl)-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,4-dimethylphenyl)-5-ethyl-N-methylpyrimidin-4-amine (CID 63728165) is 6-chloro-N-(2,4-dimethylphenyl)-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,4-dimethylphenyl)-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,4-dimethylphenyl)-5-ethyl-N-methylpyrimidin-4-amine is CCc1c(Cl)ncnc1N(C)c1ccc(C)cc1C.
What is the InChIKey of 6-chloro-N-(2,4-dimethylphenyl)-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is LEQBTRGTVRTUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-5-12-14(16)17-9-18-15(12)19(4)13-7-6-10(2)8-11(13)3/h6-9H,5H2,1-4H3.
What are the key properties of 6-chloro-N-(2,4-dimethylphenyl)-5-ethyl-N-methylpyrimidin-4-amine?
6-chloro-N-(2,4-dimethylphenyl)-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,4-dimethylphenyl)-5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 63728165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).