(1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine

C14H17N3 — CID 103431682

IUPAC(1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine
SMILESCc1nc(Cc2ccccc2)ncc1[C@@H](C)N
InChIInChI=1S/C14H17N3/c1-10(15)13-9-16-14(17-11(13)2)8-12-6-4-3-5-7-12/h3-7,9-10H,8,15H2,1-2H3/t10-/m1/s1
InChIKeyQERNLKOFNJDDNI-SNVBAGLBSA-N
MW227.31 g/mol
LogP2.40
Rot. Bonds3

About (1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine

(1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine (PubChem CID 103431682) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine
PubChem CID103431682
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine
SMILESCc1nc(Cc2ccccc2)ncc1[C@@H](C)N
InChIInChI=1S/C14H17N3/c1-10(15)13-9-16-14(17-11(13)2)8-12-6-4-3-5-7-12/h3-7,9-10H,8,15H2,1-2H3/t10-/m1/s1
InChIKeyQERNLKOFNJDDNI-SNVBAGLBSA-N
XLogP2.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-5-(1-chloroethyl)-4-methylpyrimidine
CID 55112679
(1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine
CID 94587586
(1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine
CID 103431680
(1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
CID 103432032
(1R)-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine
CID 94587549
1-[4-methyl-2-(2-methylpropyl)pyrimidin-5-yl]ethanamine
CID 62770485
N-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62770847
(1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103432077
2-[5-[(1R)-1-aminoethyl]-4-methylpyrimidin-2-yl]acetamide
CID 94587533
2-benzyl-5-propan-2-ylpyrimidine
CID 58170294
(2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine
CID 28916465
2-benzyl-4-methyl-1,3,5-triazine
CID 76608302

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine?
The IUPAC name of (1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine (CID 103431682) is (1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine.
What is the SMILES notation for (1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine?
The canonical SMILES for (1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine is Cc1nc(Cc2ccccc2)ncc1[C@@H](C)N.
What is the InChIKey of (1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine?
The InChIKey is QERNLKOFNJDDNI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3/c1-10(15)13-9-16-14(17-11(13)2)8-12-6-4-3-5-7-12/h3-7,9-10H,8,15H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine?
(1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine has a molecular weight of 227.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-benzyl-4-methylpyrimidin-5-yl)ethanamine is sourced from PubChem (CID 103431682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).