[2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine

C14H17N3S — CID 107552271

IUPAC[2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(Sc2ccc(C)c(C)c2)n1
InChIInChI=1S/C14H17N3S/c1-9-4-5-13(6-10(9)2)18-14-16-11(3)7-12(8-15)17-14/h4-7H,8,15H2,1-3H3
InChIKeyNZSLHAYOGJHDKB-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.01
Rot. Bonds3

About [2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine

[2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine (PubChem CID 107552271) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is [2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
PubChem CID107552271
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name[2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
SMILESCc1cc(CN)nc(Sc2ccc(C)c(C)c2)n1
InChIInChI=1S/C14H17N3S/c1-9-4-5-13(6-10(9)2)18-14-16-11(3)7-12(8-15)17-14/h4-7H,8,15H2,1-3H3
InChIKeyNZSLHAYOGJHDKB-UHFFFAOYSA-N
XLogP3.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-fluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
CID 107552247
[4-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
CID 43528941
1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylphenyl]-N-methylmethanamine
CID 63807375
[2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
CID 107552217
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylbenzonitrile
CID 81282620
3-(4,6-dimethylpyrimidin-2-yl)sulfanylaniline
CID 2735403
2-chloro-4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenol
CID 14273272
[2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
CID 43528946
[2-(3,4-dimethylphenyl)sulfanyl-3-pyridinyl]methanamine
CID 43528942
[3-(3,4-dimethylphenyl)sulfanylpyridazin-4-yl]methanamine
CID 80514778
5-(3,4-dimethylphenyl)sulfanyl-3-methyl-1,2,4-thiadiazole
CID 133424667
[2-(3,4-dimethylphenyl)sulfanyl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79875695

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine (CID 107552271) is [2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine is Cc1cc(CN)nc(Sc2ccc(C)c(C)c2)n1.
What is the InChIKey of [2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine?
The InChIKey is NZSLHAYOGJHDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-9-4-5-13(6-10(9)2)18-14-16-11(3)7-12(8-15)17-14/h4-7H,8,15H2,1-3H3.
What are the key properties of [2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine?
[2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine has a molecular weight of 259.38 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethylphenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 107552271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).