(1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine

C12H15N3S — CID 94587586

IUPAC(1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine
SMILESCc1nc(Cc2cccs2)ncc1[C@H](C)N
InChIInChI=1S/C12H15N3S/c1-8(13)11-7-14-12(15-9(11)2)6-10-4-3-5-16-10/h3-5,7-8H,6,13H2,1-2H3/t8-/m0/s1
InChIKeyWPEQSHHFLINTDP-QMMMGPOBSA-N
MW233.34 g/mol
LogP2.46
Rot. Bonds3

About (1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine

(1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine (PubChem CID 94587586) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is (1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine
PubChem CID94587586
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name(1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine
SMILESCc1nc(Cc2cccs2)ncc1[C@H](C)N
InChIInChI=1S/C12H15N3S/c1-8(13)11-7-14-12(15-9(11)2)6-10-4-3-5-16-10/h3-5,7-8H,6,13H2,1-2H3/t8-/m0/s1
InChIKeyWPEQSHHFLINTDP-QMMMGPOBSA-N
XLogP2.46
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-amine
CID 130483640
(1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine
CID 103431680
(1R)-1-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 94458021
1-[4-methyl-2-(2-methylpropyl)pyrimidin-5-yl]ethanamine
CID 62770485
(1S)-1-[2-[(2-methoxyphenyl)methyl]-4-methylpyrimidin-5-yl]ethanamine
CID 103432032
[6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-yl]hydrazine
CID 62915896
N-ethyl-6-methyl-5-propan-2-yl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 62913456
(1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103432077
5-bromo-4-chloro-6-methyl-2-(thiophen-2-ylmethyl)pyrimidine
CID 66294351
(1S)-1-[2-(tert-butylsulfanylmethyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431963
2-benzyl-5-(1-chloroethyl)-4-methylpyrimidine
CID 55112679
ethyl 2-(thiophen-2-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 102972564

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of (1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine (CID 94587586) is (1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine is Cc1nc(Cc2cccs2)ncc1[C@H](C)N.
What is the InChIKey of (1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is WPEQSHHFLINTDP-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8(13)11-7-14-12(15-9(11)2)6-10-4-3-5-16-10/h3-5,7-8H,6,13H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine?
(1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 233.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methyl-2-(thiophen-2-ylmethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 94587586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).