6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine

C16H21N3S — CID 80991386

IUPAC6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(Sc2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H21N3S/c1-5-6-14-18-15(17)12(4)16(19-14)20-13-8-7-10(2)11(3)9-13/h7-9H,5-6H2,1-4H3,(H2,17,18,19)
InChIKeyAKPLNMHOFRWEDV-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.09
Rot. Bonds4

About 6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine

6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine (PubChem CID 80991386) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
PubChem CID80991386
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(N)c(C)c(Sc2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H21N3S/c1-5-6-14-18-15(17)12(4)16(19-14)20-13-8-7-10(2)11(3)9-13/h7-9H,5-6H2,1-4H3,(H2,17,18,19)
InChIKeyAKPLNMHOFRWEDV-UHFFFAOYSA-N
XLogP4.09
TPSA51.80 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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,5-dichlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine
CID 80989994
6-(3,4-dimethylphenoxy)-5-methyl-2-propylpyrimidin-4-amine
CID 80989669
6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine
CID 80995348
5-methyl-6-(3-methylbutylsulfanyl)-2-propylpyrimidin-4-amine
CID 107766053
5-methyl-2-propyl-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 80990134
6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80991285
4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine
CID 80978438
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80978525
[6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81001570
6-(furan-2-ylmethylsulfanyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80990415
3-(6-amino-5-methyl-2-propylpyrimidin-4-yl)sulfanylpropane-1,2-diol
CID 80995776
6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80973603

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine (CID 80991386) is 6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine is CCCc1nc(N)c(C)c(Sc2ccc(C)c(C)c2)n1.
What is the InChIKey of 6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine?
The InChIKey is AKPLNMHOFRWEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-5-6-14-18-15(17)12(4)16(19-14)20-13-8-7-10(2)11(3)9-13/h7-9H,5-6H2,1-4H3,(H2,17,18,19).
What are the key properties of 6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine?
6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine has a molecular weight of 287.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80991386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).