N-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine

C14H17N3S — CID 55239647

IUPACN-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2ncc(C)cn2)cc1
InChIInChI=1S/C14H17N3S/c1-3-15-10-12-4-6-13(7-5-12)18-14-16-8-11(2)9-17-14/h4-9,15H,3,10H2,1-2H3
InChIKeyGYPUNWPWFVKTDQ-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.05
Rot. Bonds5

About N-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine

N-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine (PubChem CID 55239647) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
PubChem CID55239647
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Sc2ncc(C)cn2)cc1
InChIInChI=1S/C14H17N3S/c1-3-15-10-12-4-6-13(7-5-12)18-14-16-8-11(2)9-17-14/h4-9,15H,3,10H2,1-2H3
InChIKeyGYPUNWPWFVKTDQ-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-fluoro-4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 55239462
N-[[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 55239257
N-[[5-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80651506
(1R)-1-[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]propan-1-ol
CID 114066477
N-[[4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]methyl]ethanamine
CID 102926128
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-[[4-bromo-2-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine
CID 63813198
N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]phenyl]methyl]ethanamine
CID 63805797
N-[(5-methylpyrimidin-2-yl)methyl]ethanamine
CID 63321145
N-[[6-(4-tert-butylphenyl)sulfanyl-3-pyridinyl]methyl]ethanamine
CID 80627993
N-[[1,3-dimethyl-5-(5-methylpyrimidin-2-yl)sulfanylpyrazol-4-yl]methyl]ethanamine
CID 55239461
(1S)-1-[5-(5-methylpyrimidin-2-yl)sulfanyl-2-pyridinyl]propan-1-ol
CID 113355485

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine (CID 55239647) is N-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine is CCNCc1ccc(Sc2ncc(C)cn2)cc1.
What is the InChIKey of N-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine?
The InChIKey is GYPUNWPWFVKTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-3-15-10-12-4-6-13(7-5-12)18-14-16-8-11(2)9-17-14/h4-9,15H,3,10H2,1-2H3.
What are the key properties of N-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine?
N-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine has a molecular weight of 259.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-methylpyrimidin-2-yl)sulfanylphenyl]methyl]ethanamine is sourced from PubChem (CID 55239647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).