[2-(2-ethylpyrimidin-4-yl)phenyl]methanamine

C13H15N3 — CID 105466934

IUPAC[2-(2-ethylpyrimidin-4-yl)phenyl]methanamine
SMILESCCc1nccc(-c2ccccc2CN)n1
InChIInChI=1S/C13H15N3/c1-2-13-15-8-7-12(16-13)11-6-4-3-5-10(11)9-14/h3-8H,2,9,14H2,1H3
InChIKeyPTTFQDVTHLQGSA-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.16
Rot. Bonds3

About [2-(2-ethylpyrimidin-4-yl)phenyl]methanamine

[2-(2-ethylpyrimidin-4-yl)phenyl]methanamine (PubChem CID 105466934) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [2-(2-ethylpyrimidin-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylpyrimidin-4-yl)phenyl]methanamine
PubChem CID105466934
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name[2-(2-ethylpyrimidin-4-yl)phenyl]methanamine
SMILESCCc1nccc(-c2ccccc2CN)n1
InChIInChI=1S/C13H15N3/c1-2-13-15-8-7-12(16-13)11-6-4-3-5-10(11)9-14/h3-8H,2,9,14H2,1H3
InChIKeyPTTFQDVTHLQGSA-UHFFFAOYSA-N
XLogP2.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-bromophenyl)pyrimidin-2-yl]methanamine
CID 84711190
[4-[2-[(propan-2-ylamino)methyl]phenyl]pyrimidin-2-yl]methanol
CID 164739246
(2-quinolin-4-ylphenyl)methanamine
CID 150465725
2-(2-ethylphenyl)-6-pyridin-2-ylpyridine
CID 163435471
[2-(2-methylpyrimidin-4-yl)phenyl]methanol
CID 154273699
1-[4-(2-chlorophenyl)pyrimidin-2-yl]-2-methylpropan-2-amine
CID 82666279
N-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine
CID 116898542
2-heptyl-4-(2-nonoxyphenyl)pyrimidine
CID 19103426
benzene;ethane;4-(2-ethylpyrimidin-4-yl)-1,3-thiazole
CID 160538110
[4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine
CID 82471015
[2-(5-ethyl-1,3-thiazol-4-yl)phenyl]methanamine
CID 105473205
6-[2-(aminomethyl)phenyl]pyridine-2-carboxylic acid
CID 22345553

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpyrimidin-4-yl)phenyl]methanamine?
The IUPAC name of [2-(2-ethylpyrimidin-4-yl)phenyl]methanamine (CID 105466934) is [2-(2-ethylpyrimidin-4-yl)phenyl]methanamine.
What is the SMILES notation for [2-(2-ethylpyrimidin-4-yl)phenyl]methanamine?
The canonical SMILES for [2-(2-ethylpyrimidin-4-yl)phenyl]methanamine is CCc1nccc(-c2ccccc2CN)n1.
What is the InChIKey of [2-(2-ethylpyrimidin-4-yl)phenyl]methanamine?
The InChIKey is PTTFQDVTHLQGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-2-13-15-8-7-12(16-13)11-6-4-3-5-10(11)9-14/h3-8H,2,9,14H2,1H3.
What are the key properties of [2-(2-ethylpyrimidin-4-yl)phenyl]methanamine?
[2-(2-ethylpyrimidin-4-yl)phenyl]methanamine has a molecular weight of 213.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpyrimidin-4-yl)phenyl]methanamine is sourced from PubChem (CID 105466934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).