2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine

C14H16ClN3 — CID 79073469

IUPAC2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCc1ccc(N(C)c2nc(Cl)ncc2C)c(C)c1
InChIInChI=1S/C14H16ClN3/c1-9-5-6-12(10(2)7-9)18(4)13-11(3)8-16-14(15)17-13/h5-8H,1-4H3
InChIKeyXUWUXXRUOULGKH-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.82
Rot. Bonds2

About 2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine

2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine (PubChem CID 79073469) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
PubChem CID79073469
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCc1ccc(N(C)c2nc(Cl)ncc2C)c(C)c1
InChIInChI=1S/C14H16ClN3/c1-9-5-6-12(10(2)7-9)18(4)13-11(3)8-16-14(15)17-13/h5-8H,1-4H3
InChIKeyXUWUXXRUOULGKH-UHFFFAOYSA-N
XLogP3.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
CID 79072490
4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
CID 63550126
5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid
CID 63537019
6-chloro-N-(2,4-dimethylphenyl)-5-ethyl-N-methylpyrimidin-4-amine
CID 63728165
6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
CID 63588619
3-chloro-N'-hydroxy-2-(N,2,4-trimethylanilino)pyridine-4-carboximidamide
CID 136739427
4-N-(2,4-dimethylphenyl)-2-N-ethyl-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 80817893
3-(aminomethyl)-5-bromo-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
CID 55054981
3-(aminomethyl)-N-(2,4-dimethylphenyl)-N,4,6-trimethylpyridin-2-amine
CID 62003686
2-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyrazine-2,6-diamine
CID 80818315
2-N-(2,4-dimethylphenyl)-2-N-methylpyridine-2,5-diamine
CID 18419485
2-chloro-N-(2,2-dimethylpropyl)-N,5-dimethylpyrimidin-4-amine
CID 79073368

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine (CID 79073469) is 2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine is Cc1ccc(N(C)c2nc(Cl)ncc2C)c(C)c1.
What is the InChIKey of 2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is XUWUXXRUOULGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-9-5-6-12(10(2)7-9)18(4)13-11(3)8-16-14(15)17-13/h5-8H,1-4H3.
What are the key properties of 2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine?
2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 261.76 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 79073469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).