4-methyl-2-piperidin-3-ylsulfanylpyrimidine

C10H15N3S — CID 62268752

IUPAC4-methyl-2-piperidin-3-ylsulfanylpyrimidine
SMILESCc1ccnc(SC2CCCNC2)n1
InChIInChI=1S/C10H15N3S/c1-8-4-6-12-10(13-8)14-9-3-2-5-11-7-9/h4,6,9,11H,2-3,5,7H2,1H3
InChIKeyKDGPVIVDTAGUNO-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.63
Rot. Bonds2

About 4-methyl-2-piperidin-3-ylsulfanylpyrimidine

4-methyl-2-piperidin-3-ylsulfanylpyrimidine (PubChem CID 62268752) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 4-methyl-2-piperidin-3-ylsulfanylpyrimidine.

Molecular Properties

Compound Name4-methyl-2-piperidin-3-ylsulfanylpyrimidine
PubChem CID62268752
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name4-methyl-2-piperidin-3-ylsulfanylpyrimidine
SMILESCc1ccnc(SC2CCCNC2)n1
InChIInChI=1S/C10H15N3S/c1-8-4-6-12-10(13-8)14-9-3-2-5-11-7-9/h4,6,9,11H,2-3,5,7H2,1H3
InChIKeyKDGPVIVDTAGUNO-UHFFFAOYSA-N
XLogP1.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-2-(methylsulfanyl)pyrimidine
CID 821261
2-((4-Methylpyrimidin-2-yl)thio)acetamide
CID 863173
5-{[(4,6-Dimethyl-2-pyrimidinyl)thio]methyl}-2-methyl-4-pyrimidinamine
CID 977333
N-cyclopropyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 6465408
N-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 6469527
Pyrimidine, 4-methyl-2-((3,4,4-trifluoro-3-butenyl)thio)-
CID 78585
N-(4,6-dimethyl-2-pyrimidinyl)-2-[(4-methyl-2-pyrimidinyl)sulfanyl]acetamide
CID 888739
N-(4,6-dimethylpyrimidin-2-yl)-2-pyrimidin-2-ylthioacetamide
CID 951221
2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(2-pyrimidinyl)acetamide
CID 672416
3-[(4-Methylpyrimidin-2-yl)sulfanylmethyl]piperidine-2,6-dione
CID 172466221
N-Butyl-4-methylpyrimidin-2-amine
CID 62958720
1-(4-Methylpyrimidin-2-yl)-3-(3-((4-methylpyrimidin-2-yl)thio)propyl)urea
CID 18584276

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperidin-3-ylsulfanylpyrimidine?
The IUPAC name of 4-methyl-2-piperidin-3-ylsulfanylpyrimidine (CID 62268752) is 4-methyl-2-piperidin-3-ylsulfanylpyrimidine.
What is the SMILES notation for 4-methyl-2-piperidin-3-ylsulfanylpyrimidine?
The canonical SMILES for 4-methyl-2-piperidin-3-ylsulfanylpyrimidine is Cc1ccnc(SC2CCCNC2)n1.
What is the InChIKey of 4-methyl-2-piperidin-3-ylsulfanylpyrimidine?
The InChIKey is KDGPVIVDTAGUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-8-4-6-12-10(13-8)14-9-3-2-5-11-7-9/h4,6,9,11H,2-3,5,7H2,1H3.
What are the key properties of 4-methyl-2-piperidin-3-ylsulfanylpyrimidine?
4-methyl-2-piperidin-3-ylsulfanylpyrimidine has a molecular weight of 209.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperidin-3-ylsulfanylpyrimidine is sourced from PubChem (CID 62268752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).