1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine

C15H18ClN3S — CID 66153716

IUPAC1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(CSc2ccccc2Cl)nc1C
InChIInChI=1S/C15H18ClN3S/c1-10(17-3)12-8-18-15(19-11(12)2)9-20-14-7-5-4-6-13(14)16/h4-8,10,17H,9H2,1-3H3
InChIKeyLNAMUARBRJRNLB-UHFFFAOYSA-N
MW307.85 g/mol
LogP4.01
Rot. Bonds5

About 1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine

1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine (PubChem CID 66153716) has the molecular formula C15H18ClN3S and a molecular weight of 307.85 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
PubChem CID66153716
Molecular FormulaC15H18ClN3S
Molecular Weight307.85 g/mol
Exact Mass307.09
IUPAC Name1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(CSc2ccccc2Cl)nc1C
InChIInChI=1S/C15H18ClN3S/c1-10(17-3)12-8-18-15(19-11(12)2)9-20-14-7-5-4-6-13(14)16/h4-8,10,17H,9H2,1-3H3
InChIKeyLNAMUARBRJRNLB-UHFFFAOYSA-N
XLogP4.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.85
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-ethylethanamine
CID 66153717
(1R)-1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanol
CID 103431412
1-[2-[(4-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 66144009
N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine
CID 62771548
1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanone
CID 66155070
1-[2-[(4-fluorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 66065530
4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine
CID 66153320
1-[2-[(2-chlorophenyl)methylsulfanyl]phenyl]-N-methylethanamine
CID 103288708
N-methyl-1-[4-methyl-2-(pyridin-2-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62769957
2-[(2-chlorophenyl)sulfanylmethyl]pyrimidin-5-amine
CID 66153318
2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66153137
1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 63891756

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine (CID 66153716) is 1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine is CNC(C)c1cnc(CSc2ccccc2Cl)nc1C.
What is the InChIKey of 1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine?
The InChIKey is LNAMUARBRJRNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3S/c1-10(17-3)12-8-18-15(19-11(12)2)9-20-14-7-5-4-6-13(14)16/h4-8,10,17H,9H2,1-3H3.
What are the key properties of 1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine?
1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine has a molecular weight of 307.85 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 66153716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).