1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine

C16H21N3 — CID 116892485

IUPAC1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
SMILESCCCc1ccc(-c2cc(C)nc(C(C)N)n2)cc1
InChIInChI=1S/C16H21N3/c1-4-5-13-6-8-14(9-7-13)15-10-11(2)18-16(19-15)12(3)17/h6-10,12H,4-5,17H2,1-3H3
InChIKeyMKKNJFBBMUYXGV-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.42
Rot. Bonds4

About 1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine

1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine (PubChem CID 116892485) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
PubChem CID116892485
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
SMILESCCCc1ccc(-c2cc(C)nc(C(C)N)n2)cc1
InChIInChI=1S/C16H21N3/c1-4-5-13-6-8-14(9-7-13)15-10-11(2)18-16(19-15)12(3)17/h6-10,12H,4-5,17H2,1-3H3
InChIKeyMKKNJFBBMUYXGV-UHFFFAOYSA-N
XLogP3.42
TPSA51.80 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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892467
1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892474
2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
CID 95464263
1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892469
1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine
CID 55204515
1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine
CID 116892504
1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892482
(1S)-1-(4-propylphenyl)ethanamine
CID 7047688
3-amino-3-(4-methyl-6-phenylpyrimidin-2-yl)propanoic acid
CID 116895914
6-methyl-4-(4-propylphenyl)-1H-pyrimidine-2-thione
CID 106517184
2-(4-propylphenyl)-5-[2-(4-propylphenyl)ethyl]pyridine
CID 19842005
2-(4-methyl-6-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
CID 116896429

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine (CID 116892485) is 1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine is CCCc1ccc(-c2cc(C)nc(C(C)N)n2)cc1.
What is the InChIKey of 1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine?
The InChIKey is MKKNJFBBMUYXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-5-13-6-8-14(9-7-13)15-10-11(2)18-16(19-15)12(3)17/h6-10,12H,4-5,17H2,1-3H3.
What are the key properties of 1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine?
1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine has a molecular weight of 255.37 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 116892485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).