2-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine

C9H15N3S — CID 62269447

IUPAC2-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine
SMILESCCC(CN)Sc1nccc(C)n1
InChIInChI=1S/C9H15N3S/c1-3-8(6-10)13-9-11-5-4-7(2)12-9/h4-5,8H,3,6,10H2,1-2H3
InChIKeyXUOMMKRWHLTDCL-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.61
Rot. Bonds4

About 2-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine

2-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine (PubChem CID 62269447) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine.

Molecular Properties

Compound Name2-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine
PubChem CID62269447
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine
SMILESCCC(CN)Sc1nccc(C)n1
InChIInChI=1S/C9H15N3S/c1-3-8(6-10)13-9-11-5-4-7(2)12-9/h4-5,8H,3,6,10H2,1-2H3
InChIKeyXUOMMKRWHLTDCL-UHFFFAOYSA-N
XLogP1.61
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62269446
N'-hydroxy-3-(4-methylpyrimidin-2-yl)sulfanylpentanimidamide
CID 76937953
2-(furan-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanamine
CID 62269086
ethyl 2-fluoro-2-(4-methylpyrimidin-2-yl)sulfanylacetate
CID 79357158
(2S)-1-(4-methylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 104889205
1-[2-(4-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-amine
CID 112678650
4,5-bis[(4-methylpyrimidin-2-yl)sulfanyl]benzene-1,2-diol
CID 102477805
(2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide
CID 96510593
2-[bis(4-chlorophenyl)methylsulfanyl]-4-methylpyrimidine
CID 1006358
2-(1,3-oxazol-2-ylsulfanyl)butan-1-amine
CID 106923813
N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline
CID 62580992
trimethyl-(4-methylpyrimidin-2-yl)sulfanylsilane
CID 119082296

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine?
The IUPAC name of 2-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine (CID 62269447) is 2-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine.
What is the SMILES notation for 2-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine?
The canonical SMILES for 2-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine is CCC(CN)Sc1nccc(C)n1.
What is the InChIKey of 2-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine?
The InChIKey is XUOMMKRWHLTDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-3-8(6-10)13-9-11-5-4-7(2)12-9/h4-5,8H,3,6,10H2,1-2H3.
What are the key properties of 2-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine?
2-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine has a molecular weight of 197.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine is sourced from PubChem (CID 62269447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).