2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine

C12H12ClN3S — CID 66146663

IUPAC2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CSc2cccc(Cl)c2)n1
InChIInChI=1S/C12H12ClN3S/c1-8-5-11(14)16-12(15-8)7-17-10-4-2-3-9(13)6-10/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyZCUJEILQFLMBMI-UHFFFAOYSA-N
MW265.77 g/mol
LogP3.31
Rot. Bonds3

About 2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine

2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine (PubChem CID 66146663) has the molecular formula C12H12ClN3S and a molecular weight of 265.77 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine
PubChem CID66146663
Molecular FormulaC12H12ClN3S
Molecular Weight265.77 g/mol
Exact Mass265.04
IUPAC Name2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(CSc2cccc(Cl)c2)n1
InChIInChI=1S/C12H12ClN3S/c1-8-5-11(14)16-12(15-8)7-17-10-4-2-3-9(13)6-10/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyZCUJEILQFLMBMI-UHFFFAOYSA-N
XLogP3.31
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.77
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66088954
2-[2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-yl]ethanamine
CID 66148751
4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine
CID 80550233
2-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 82296139
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methylpyrimidin-4-amine
CID 80654802
3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-amine
CID 66148676
2-[(3-chlorophenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051323
5-chloro-3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-thiadiazole
CID 66146272
4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-5-iodopyrimidine
CID 66292997
[2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine
CID 66146872
(1S)-1-[2-[(3-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]ethanamine
CID 103431990
4,6-dichloro-5-fluoro-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine
CID 80550367

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine (CID 66146663) is 2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(CSc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine?
The InChIKey is ZCUJEILQFLMBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3S/c1-8-5-11(14)16-12(15-8)7-17-10-4-2-3-9(13)6-10/h2-6H,7H2,1H3,(H2,14,15,16).
What are the key properties of 2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine?
2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine has a molecular weight of 265.77 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)sulfanylmethyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 66146663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).