6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine

C15H18ClN3 — CID 80948781

IUPAC6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(Cl)nc(C(C)C)n2)c(C)c1
InChIInChI=1S/C15H18ClN3/c1-9(2)15-18-13(16)8-14(19-15)17-12-6-5-10(3)7-11(12)4/h5-9H,1-4H3,(H,17,18,19)
InChIKeyZWQWYPNRWBLUGG-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.61
Rot. Bonds3

About 6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80948781) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80948781
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(Nc2cc(Cl)nc(C(C)C)n2)c(C)c1
InChIInChI=1S/C15H18ClN3/c1-9(2)15-18-13(16)8-14(19-15)17-12-6-5-10(3)7-11(12)4/h5-9H,1-4H3,(H,17,18,19)
InChIKeyZWQWYPNRWBLUGG-UHFFFAOYSA-N
XLogP4.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2,4-dimethylphenyl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955466
6-chloro-N-(2,4-dichlorophenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80947983
6-chloro-2-propan-2-yl-N-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 80949167
6-chloro-N-(4-fluoro-3-methylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80951424
6-chloro-N-(4-fluoro-2-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953300
6-chloro-N-(2-chloro-5-methoxyphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953244
N-(5-chloro-2-methylphenyl)-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80968585
4-chloro-6-(2,5-dimethylphenyl)sulfanyl-2-propan-2-ylpyrimidine
CID 80951032
N-(3-bromo-4-fluorophenyl)-6-chloro-2-propan-2-ylpyrimidin-4-amine
CID 104780296
4-chloro-N-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 83153410
6-chloro-N-(2-fluoro-5-methylphenyl)-2-methylpyrimidin-4-amine
CID 62481306
6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
CID 114256298

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine (CID 80948781) is 6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine is Cc1ccc(Nc2cc(Cl)nc(C(C)C)n2)c(C)c1.
What is the InChIKey of 6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZWQWYPNRWBLUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-9(2)15-18-13(16)8-14(19-15)17-12-6-5-10(3)7-11(12)4/h5-9H,1-4H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 275.78 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,4-dimethylphenyl)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80948781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).