6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine

C14H16ClN3 — CID 80944911

IUPAC6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C14H16ClN3/c1-4-13-17-12(15)8-14(18-13)16-11-6-5-9(2)10(3)7-11/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyCAASGRCVVZKZAQ-UHFFFAOYSA-N
MW261.76 g/mol
LogP4.05
Rot. Bonds3

About 6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine

6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine (PubChem CID 80944911) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine
PubChem CID80944911
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Cl)cc(Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C14H16ClN3/c1-4-13-17-12(15)8-14(18-13)16-11-6-5-9(2)10(3)7-11/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyCAASGRCVVZKZAQ-UHFFFAOYSA-N
XLogP4.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-ethyl-N-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 80943528
6-chloro-2-ethyl-N-(4-fluoro-3-methylphenyl)pyrimidin-4-amine
CID 80936099
6-chloro-2-ethyl-N-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 80936780
6-chloro-N-(2,3-dihydro-1H-inden-5-yl)-2-ethylpyrimidin-4-amine
CID 80944024
N-(6-chloro-2-ethylpyrimidin-4-yl)quinolin-6-amine
CID 80936805
6-chloro-2-ethyl-N-thiophen-3-ylpyrimidin-4-amine
CID 80936731
6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
CID 114256298
2-N-(6-chloro-2-ethylpyrimidin-4-yl)-1-N-(4-methylphenyl)benzene-1,2-diamine
CID 108778186
6-chloro-N-(3,4-dimethylphenyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715335
2-ethyl-4-N-(4-methoxy-3-methylphenyl)pyrimidine-4,6-diamine
CID 80935459
6-N,2-diethyl-4-N-(3-fluoro-4-methylphenyl)pyrimidine-4,6-diamine
CID 80933754
N-(4-bromo-3-methylphenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937868

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine (CID 80944911) is 6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine is CCc1nc(Cl)cc(Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of 6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine?
The InChIKey is CAASGRCVVZKZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-4-13-17-12(15)8-14(18-13)16-11-6-5-9(2)10(3)7-11/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine?
6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine has a molecular weight of 261.76 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 80944911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).