2-[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]ethanamine

C14H18N4S — CID 80644157

IUPAC2-[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]ethanamine
SMILESCc1nc(Sc2ccc(CCN)cn2)nc(C)c1C
InChIInChI=1S/C14H18N4S/c1-9-10(2)17-14(18-11(9)3)19-13-5-4-12(6-7-15)8-16-13/h4-5,8H,6-7,15H2,1-3H3
InChIKeyJTFURVLBPAKJLE-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.45
Rot. Bonds4

About 2-[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]ethanamine

2-[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]ethanamine (PubChem CID 80644157) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]ethanamine
PubChem CID80644157
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name2-[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]ethanamine
SMILESCc1nc(Sc2ccc(CCN)cn2)nc(C)c1C
InChIInChI=1S/C14H18N4S/c1-9-10(2)17-14(18-11(9)3)19-13-5-4-12(6-7-15)8-16-13/h4-5,8H,6-7,15H2,1-3H3
InChIKeyJTFURVLBPAKJLE-UHFFFAOYSA-N
XLogP2.45
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]methyl]cyclopropanamine
CID 80640577
2-[6-[(5-bromo-2-pyridinyl)sulfanyl]-3-pyridinyl]ethanamine
CID 80644250
2-[3,5-difluoro-4-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]ethanamine
CID 65041442
2-(6-butylsulfanyl-3-pyridinyl)ethanamine
CID 80650800
2-[6-(1,2,4-thiadiazol-5-ylsulfanyl)-3-pyridinyl]ethanamine
CID 80644339
2-[6-(2,5-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine
CID 80651796
2-[6-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]ethanamine
CID 80650709
[5-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-2-pyridinyl]methanamine
CID 113321430
4-methyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridin-3-amine
CID 79176193
2-[6-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-3-pyridinyl]ethanamine
CID 80640192
2-[6-(3,4,5-trimethylpyrazol-1-yl)-3-pyridinyl]ethanamine
CID 80634117
2-(6-fluoro-3-pyridinyl)ethanamine
CID 55253622

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]ethanamine?
The IUPAC name of 2-[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]ethanamine (CID 80644157) is 2-[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]ethanamine is Cc1nc(Sc2ccc(CCN)cn2)nc(C)c1C.
What is the InChIKey of 2-[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]ethanamine?
The InChIKey is JTFURVLBPAKJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-9-10(2)17-14(18-11(9)3)19-13-5-4-12(6-7-15)8-16-13/h4-5,8H,6-7,15H2,1-3H3.
What are the key properties of 2-[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]ethanamine?
2-[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]ethanamine has a molecular weight of 274.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-3-pyridinyl]ethanamine is sourced from PubChem (CID 80644157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).