6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine

C16H21N3 — CID 80945080

IUPAC6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(-c2ccc(C)cc2C)n1
InChIInChI=1S/C16H21N3/c1-5-6-15-18-14(10-16(17-4)19-15)13-8-7-11(2)9-12(13)3/h7-10H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyOZQCUOAQJOLLFA-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.75
Rot. Bonds4

About 6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine

6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine (PubChem CID 80945080) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine
PubChem CID80945080
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(NC)cc(-c2ccc(C)cc2C)n1
InChIInChI=1S/C16H21N3/c1-5-6-15-18-14(10-16(17-4)19-15)13-8-7-11(2)9-12(13)3/h7-10H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyOZQCUOAQJOLLFA-UHFFFAOYSA-N
XLogP3.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine (CID 80945080) is 6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine is CCCc1nc(NC)cc(-c2ccc(C)cc2C)n1.
What is the InChIKey of 6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine?
The InChIKey is OZQCUOAQJOLLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-5-6-15-18-14(10-16(17-4)19-15)13-8-7-11(2)9-12(13)3/h7-10H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of 6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine?
6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine has a molecular weight of 255.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenyl)-N-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80945080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).