1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine

C16H21N3 — CID 116897584

IUPAC1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine
SMILESCc1ccc(C(C)C)cc1-c1ccnc(C(C)N)n1
InChIInChI=1S/C16H21N3/c1-10(2)13-6-5-11(3)14(9-13)15-7-8-18-16(19-15)12(4)17/h5-10,12H,17H2,1-4H3
InChIKeyOPFHFNMCEFPGEN-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.60
Rot. Bonds3

About 1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine

1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine (PubChem CID 116897584) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine
PubChem CID116897584
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine
SMILESCc1ccc(C(C)C)cc1-c1ccnc(C(C)N)n1
InChIInChI=1S/C16H21N3/c1-10(2)13-6-5-11(3)14(9-13)15-7-8-18-16(19-15)12(4)17/h5-10,12H,17H2,1-4H3
InChIKeyOPFHFNMCEFPGEN-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methyl-5-propan-2-ylphenyl)pyrimidine-2-carboxylic acid
CID 116899759
2-amino-2-[4-(2,5-dimethylphenyl)pyrimidin-2-yl]acetic acid
CID 116902104
1-(4-naphthalen-2-ylpyrimidin-2-yl)ethanamine
CID 116897619
3-[4-(5-bromo-2-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116898221
4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 82495942
1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine
CID 116897574
[4-methyl-6-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]methanamine
CID 82482338
2-(chloromethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116867853
2-(bromomethyl)-4-(2-methyl-5-propan-2-ylphenyl)-1,3-thiazole
CID 116970332
1,4-dimethyl-6-propan-2-ylazulene
CID 19861187
1-(2,5-dimethylphenyl)-7-propan-2-ylisoquinoline
CID 118074690
5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 82471385

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine (CID 116897584) is 1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine is Cc1ccc(C(C)C)cc1-c1ccnc(C(C)N)n1.
What is the InChIKey of 1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine?
The InChIKey is OPFHFNMCEFPGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-10(2)13-6-5-11(3)14(9-13)15-7-8-18-16(19-15)12(4)17/h5-10,12H,17H2,1-4H3.
What are the key properties of 1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine?
1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-5-propan-2-ylphenyl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 116897584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).