N-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine

C12H13N3S — CID 80884929

IUPACN-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
SMILESCNc1cc(Sc2ccc(C)cc2)ncn1
InChIInChI=1S/C12H13N3S/c1-9-3-5-10(6-4-9)16-12-7-11(13-2)14-8-15-12/h3-8H,1-2H3,(H,13,14,15)
InChIKeyOMCGPJNYPPMZBT-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.98
Rot. Bonds3

About N-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine

N-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine (PubChem CID 80884929) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
PubChem CID80884929
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC NameN-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
SMILESCNc1cc(Sc2ccc(C)cc2)ncn1
InChIInChI=1S/C12H13N3S/c1-9-3-5-10(6-4-9)16-12-7-11(13-2)14-8-15-12/h3-8H,1-2H3,(H,13,14,15)
InChIKeyOMCGPJNYPPMZBT-UHFFFAOYSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dichlorophenyl)sulfanyl-N-methylpyrimidin-4-amine
CID 80890874
N-methyl-6-naphthalen-2-ylsulfanylpyrimidin-4-amine
CID 80883966
N-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886006
N-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyrimidin-4-amine
CID 80885005
(6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80926498
6-(2,4-dimethylphenyl)sulfanyl-N-ethylpyrimidin-4-amine
CID 80883538
4-N-(2-fluoro-5-methylphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 80755577
6-(4-tert-butylphenyl)sulfanyl-N,2-dimethylpyrimidin-4-amine
CID 80893059
3-[6-(methylamino)pyrimidin-4-yl]sulfanylbutan-1-ol
CID 80891111
3-[6-(methylamino)pyrimidin-4-yl]sulfanylpropan-1-ol
CID 80891464
6-(2-methoxyethylsulfanyl)-N-methylpyrimidin-4-amine
CID 80884045
6-(2-bromo-4-methylphenoxy)-N-methylpyrimidin-4-amine
CID 80860088

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine (CID 80884929) is N-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine is CNc1cc(Sc2ccc(C)cc2)ncn1.
What is the InChIKey of N-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine?
The InChIKey is OMCGPJNYPPMZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-9-3-5-10(6-4-9)16-12-7-11(13-2)14-8-15-12/h3-8H,1-2H3,(H,13,14,15).
What are the key properties of N-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine?
N-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine has a molecular weight of 231.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine is sourced from PubChem (CID 80884929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).