2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine

C14H17N3S — CID 64628806

IUPAC2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine
SMILESCc1cnc(SC(C)C(N)c2ccccc2)nc1
InChIInChI=1S/C14H17N3S/c1-10-8-16-14(17-9-10)18-11(2)13(15)12-6-4-3-5-7-12/h3-9,11,13H,15H2,1-2H3
InChIKeyDDUIIJAPBIXGSG-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.97
Rot. Bonds4

About 2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine

2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine (PubChem CID 64628806) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine
PubChem CID64628806
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine
SMILESCc1cnc(SC(C)C(N)c2ccccc2)nc1
InChIInChI=1S/C14H17N3S/c1-10-8-16-14(17-9-10)18-11(2)13(15)12-6-4-3-5-7-12/h3-9,11,13H,15H2,1-2H3
InChIKeyDDUIIJAPBIXGSG-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine
CID 64634885
2-(2-fluorophenyl)sulfanyl-1-phenylpropan-1-amine
CID 64622029
N,3-dimethyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylbutan-1-amine
CID 64628599
2-(2-bromophenyl)sulfanyl-1-phenylpropan-1-amine
CID 64612670
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 64633110
(1R)-1-[2-(5-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
CID 78938929
1-(4-methylphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine
CID 64625731
3-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1-phenylbutan-1-amine
CID 64632096
2-(2-methoxyphenyl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 64626925
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428
3-(1-amino-1-phenylpropan-2-yl)sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 64634916

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine?
The IUPAC name of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine (CID 64628806) is 2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine?
The canonical SMILES for 2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine is Cc1cnc(SC(C)C(N)c2ccccc2)nc1.
What is the InChIKey of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine?
The InChIKey is DDUIIJAPBIXGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10-8-16-14(17-9-10)18-11(2)13(15)12-6-4-3-5-7-12/h3-9,11,13H,15H2,1-2H3.
What are the key properties of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine?
2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine has a molecular weight of 259.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrimidin-2-yl)sulfanyl-1-phenylpropan-1-amine is sourced from PubChem (CID 64628806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).