2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine

C13H14ClN3S — CID 66153137

IUPAC2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(CSc2ccccc2Cl)n1
InChIInChI=1S/C13H14ClN3S/c1-9-7-12(15-2)17-13(16-9)8-18-11-6-4-3-5-10(11)14/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyASIJCMIGBXFSMM-UHFFFAOYSA-N
MW279.80 g/mol
LogP3.77
Rot. Bonds4

About 2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine

2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 66153137) has the molecular formula C13H14ClN3S and a molecular weight of 279.80 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
PubChem CID66153137
Molecular FormulaC13H14ClN3S
Molecular Weight279.80 g/mol
Exact Mass279.06
IUPAC Name2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
SMILESCNc1cc(C)nc(CSc2ccccc2Cl)n1
InChIInChI=1S/C13H14ClN3S/c1-9-7-12(15-2)17-13(16-9)8-18-11-6-4-3-5-10(11)14/h3-7H,8H2,1-2H3,(H,15,16,17)
InChIKeyASIJCMIGBXFSMM-UHFFFAOYSA-N
XLogP3.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.80
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,6-dimethyl-2-[(2-nitrophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 80654239
4,6-dichloro-2-[(2-chlorophenyl)sulfanylmethyl]-5-methylpyrimidine
CID 66153320
2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine
CID 66065128
N,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 55135005
2-[(3,4-dichlorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 62190533
2-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyrimidin-4-amine
CID 66154099
4-chloro-2-[(2-chlorophenyl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 43146932
N,6-dimethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]pyrimidin-4-amine
CID 80654482
2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80654807
1-[2-[(2-chlorophenyl)sulfanylmethyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 66153716
5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66304952
6-(2-chlorophenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
CID 80884617

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine (CID 66153137) is 2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine is CNc1cc(C)nc(CSc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is ASIJCMIGBXFSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3S/c1-9-7-12(15-2)17-13(16-9)8-18-11-6-4-3-5-10(11)14/h3-7H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine?
2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 279.80 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)sulfanylmethyl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66153137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).