4-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine;ethane

C15H21N3 — CID 163247902

IUPAC4-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine;ethane
SMILESCC.Cc1cc(-c2c(C)cccc2C)nc(N)n1
InChIInChI=1S/C13H15N3.C2H6/c1-8-5-4-6-9(2)12(8)11-7-10(3)15-13(14)16-11;1-2/h4-7H,1-3H3,(H2,14,15,16);1-2H3
InChIKeyDQVPOOZDQCKUJL-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.68
Rot. Bonds1

About 4-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine;ethane

4-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine;ethane (PubChem CID 163247902) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine;ethane.

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine;ethane
PubChem CID163247902
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine;ethane
SMILESCC.Cc1cc(-c2c(C)cccc2C)nc(N)n1
InChIInChI=1S/C13H15N3.C2H6/c1-8-5-4-6-9(2)12(8)11-7-10(3)15-13(14)16-11;1-2/h4-7H,1-3H3,(H2,14,15,16);1-2H3
InChIKeyDQVPOOZDQCKUJL-UHFFFAOYSA-N
XLogP3.68
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2,6-dimethylphenyl)pyrimidin-2-amine
CID 155169736
4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 62481951
4-(2,3-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 39796773
4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 140629054
4-methyl-6-(2-methylthiophen-3-yl)pyrimidin-2-amine
CID 102838422
4-(3,4-difluorophenyl)-6-methylpyrimidin-2-amine
CID 39819363
4-methyl-6-(2-methyl-4-pyridinyl)pyrimidin-2-amine
CID 71225444
4-isoquinolin-8-yl-6-methylpyrimidin-2-amine
CID 103144263
4-(5-iodothiophen-2-yl)-6-methylpyrimidin-2-amine
CID 53426321
4-(2-fluoro-5-methylphenyl)-6-methylpyrimidin-2-amine
CID 56704999
4-methyl-6-pyrimidin-5-ylpyrimidin-2-amine
CID 39760892
4,6-dimethylpyrimidin-2-amine;2-methylbenzoic acid
CID 139144557

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine;ethane?
The IUPAC name of 4-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine;ethane (CID 163247902) is 4-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine;ethane.
What is the SMILES notation for 4-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine;ethane?
The canonical SMILES for 4-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine;ethane is CC.Cc1cc(-c2c(C)cccc2C)nc(N)n1.
What is the InChIKey of 4-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine;ethane?
The InChIKey is DQVPOOZDQCKUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3.C2H6/c1-8-5-4-6-9(2)12(8)11-7-10(3)15-13(14)16-11;1-2/h4-7H,1-3H3,(H2,14,15,16);1-2H3.
What are the key properties of 4-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine;ethane?
4-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine;ethane has a molecular weight of 243.35 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine;ethane is sourced from PubChem (CID 163247902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).