1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine

C14H17N3S — CID 112678650

IUPAC1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Sc1nccc(C)n1
InChIInChI=1S/C14H17N3S/c1-3-12(15)11-6-4-5-7-13(11)18-14-16-9-8-10(2)17-14/h4-9,12H,3,15H2,1-2H3
InChIKeyIGACVFPKRAMHKH-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.35
Rot. Bonds4

About 1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine

1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine (PubChem CID 112678650) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine
PubChem CID112678650
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Sc1nccc(C)n1
InChIInChI=1S/C14H17N3S/c1-3-12(15)11-6-4-5-7-13(11)18-14-16-9-8-10(2)17-14/h4-9,12H,3,15H2,1-2H3
InChIKeyIGACVFPKRAMHKH-UHFFFAOYSA-N
XLogP3.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1S)-1-aminopropyl]phenyl]sulfanylpyrimidine-4,6-diamine
CID 103959543
1-[2-(1,3-oxazol-2-ylsulfanyl)phenyl]propan-1-amine
CID 106923086
(1S)-1-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]propan-1-amine
CID 113358898
1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-one
CID 112677684
(1S)-1-(2-methylsulfanylphenyl)propan-1-amine
CID 103663388
2-methyl-3-(4-methylpyrimidin-2-yl)sulfanylaniline
CID 63061556
1-[2-(1,3-thiazol-2-ylsulfanyl)phenyl]propan-1-amine
CID 112678632
2-[2-(1-aminopropyl)phenyl]sulfanyl-1H-pyrimidin-6-one
CID 112678587
2-(4-methylpyrimidin-2-yl)sulfanyl-1-phenylethanamine
CID 55241697
1-[4-bromo-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
CID 82969845
(2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 104889205
(1S)-1-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
CID 103959625

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine?
The IUPAC name of 1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine (CID 112678650) is 1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine?
The canonical SMILES for 1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine is CCC(N)c1ccccc1Sc1nccc(C)n1.
What is the InChIKey of 1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine?
The InChIKey is IGACVFPKRAMHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-3-12(15)11-6-4-5-7-13(11)18-14-16-9-8-10(2)17-14/h4-9,12H,3,15H2,1-2H3.
What are the key properties of 1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine?
1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine has a molecular weight of 259.38 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine is sourced from PubChem (CID 112678650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).