N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine

C16H21N3S — CID 80991106

IUPACN,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(Sc2cccc(C)c2)c1C
InChIInChI=1S/C16H21N3S/c1-10(2)14-18-15(17-5)12(4)16(19-14)20-13-8-6-7-11(3)9-13/h6-10H,1-5H3,(H,17,18,19)
InChIKeyKCNGXXJTPZFQOD-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.41
Rot. Bonds4

About N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine

N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80991106) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80991106
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(Sc2cccc(C)c2)c1C
InChIInChI=1S/C16H21N3S/c1-10(2)14-18-15(17-5)12(4)16(19-14)20-13-8-6-7-11(3)9-13/h6-10H,1-5H3,(H,17,18,19)
InChIKeyKCNGXXJTPZFQOD-UHFFFAOYSA-N
XLogP4.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-N,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80989901
N-ethyl-6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80995868
6-(3-fluorophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80995276
(5-methyl-2-propan-2-yl-6-pyridin-4-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80996244
6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80994557
[6-(4-bromophenyl)sulfanyl-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81000328
2,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80885765
N-methyl-6-(3-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine
CID 80885957
N-methyl-4-(3-methylphenyl)sulfanylquinazolin-2-amine
CID 80886234
6-(2,3-dichlorophenyl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
CID 80975407
N-methyl-3-(3-methylphenyl)sulfanylaniline
CID 117033152
5-methyl-6-(4-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80991093

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine (CID 80991106) is N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine is CNc1nc(C(C)C)nc(Sc2cccc(C)c2)c1C.
What is the InChIKey of N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is KCNGXXJTPZFQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-10(2)14-18-15(17-5)12(4)16(19-14)20-13-8-6-7-11(3)9-13/h6-10H,1-5H3,(H,17,18,19).
What are the key properties of N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine?
N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 287.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80991106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).