[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine

C16H21N3 — CID 82482338

IUPAC[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
SMILESCc1cc(-c2cc(C(C)C)ccc2C)nc(CN)n1
InChIInChI=1S/C16H21N3/c1-10(2)13-6-5-11(3)14(8-13)15-7-12(4)18-16(9-17)19-15/h5-8,10H,9,17H2,1-4H3
InChIKeyFQEDYXGXPSBGAR-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.34
Rot. Bonds3

About [4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine

[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine (PubChem CID 82482338) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
PubChem CID82482338
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
SMILESCc1cc(-c2cc(C(C)C)ccc2C)nc(CN)n1
InChIInChI=1S/C16H21N3/c1-10(2)13-6-5-11(3)14(8-13)15-7-12(4)18-16(9-17)19-15/h5-8,10H,9,17H2,1-4H3
InChIKeyFQEDYXGXPSBGAR-UHFFFAOYSA-N
XLogP3.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanol
CID 116893839
2-[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]acetonitrile
CID 116895043
[4-methyl-6-(6-methyl-1,3-benzodioxol-5-yl)pyrimidin-2-yl]methanamine
CID 116892370
[4-(5-chloro-2-fluorophenyl)-6-methylpyrimidin-2-yl]methanamine
CID 82481340
2-[2-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 82484829
4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 82495942
[4-(4-methoxy-2,3-dimethylphenyl)-6-methylpyrimidin-2-yl]methanamine
CID 82300078
[4-methyl-6-(3-methyl-4-propan-2-yloxyphenyl)pyrimidin-2-yl]methanamine
CID 95474508
2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116970332
4-(2-methoxy-4-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300071
3-[4-(2,5-dimethylphenyl)-6-methylpyrimidin-2-yl]butan-1-amine
CID 116892969
1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine
CID 116897584

Frequently Asked Questions

What is the IUPAC name of [4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine?
The IUPAC name of [4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine (CID 82482338) is [4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine.
What is the SMILES notation for [4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine?
The canonical SMILES for [4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine is Cc1cc(-c2cc(C(C)C)ccc2C)nc(CN)n1.
What is the InChIKey of [4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine?
The InChIKey is FQEDYXGXPSBGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-10(2)13-6-5-11(3)14(8-13)15-7-12(4)18-16(9-17)19-15/h5-8,10H,9,17H2,1-4H3.
What are the key properties of [4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine?
[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine is sourced from PubChem (CID 82482338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).