ethane;4-methyl-6-piperidin-4-ylpyrimidine

C12H21N3 — CID 156866594

IUPACethane;4-methyl-6-piperidin-4-ylpyrimidine
SMILESCC.Cc1cc(C2CCNCC2)ncn1
InChIInChI=1S/C10H15N3.C2H6/c1-8-6-10(13-7-12-8)9-2-4-11-5-3-9;1-2/h6-7,9,11H,2-5H2,1H3;1-2H3
InChIKeyABXLBUXLCKDGDH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.28
Rot. Bonds1

About ethane;4-methyl-6-piperidin-4-ylpyrimidine

ethane;4-methyl-6-piperidin-4-ylpyrimidine (PubChem CID 156866594) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is ethane;4-methyl-6-piperidin-4-ylpyrimidine.

Molecular Properties

Compound Nameethane;4-methyl-6-piperidin-4-ylpyrimidine
PubChem CID156866594
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Nameethane;4-methyl-6-piperidin-4-ylpyrimidine
SMILESCC.Cc1cc(C2CCNCC2)ncn1
InChIInChI=1S/C10H15N3.C2H6/c1-8-6-10(13-7-12-8)9-2-4-11-5-3-9;1-2/h6-7,9,11H,2-5H2,1H3;1-2H3
InChIKeyABXLBUXLCKDGDH-UHFFFAOYSA-N
XLogP2.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclobutyl-6-piperidin-4-ylpyrimidine
CID 83849257
4-ethyl-6-piperidin-4-ylpyrimidine
CID 83847190
2,6-dimethyl-4-piperidin-4-ylpyridine
CID 82403777
(3aR,7aS)-5-methyl-2-(6-piperidin-4-ylpyrimidin-4-yl)-1,3,3a,4,7,7a-hexahydroisoindole
CID 56722184
4,6-dicyclopentylpyrimidine
CID 71817735
3-methyl-7-piperidin-4-ylimidazo[1,5-c]pyrimidine
CID 118250905
4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine
CID 116893458
ethane;4-methyl-2-pyrrolidin-3-ylpyridine
CID 143900241
4-bromo-2-piperidin-4-ylpyridine
CID 76848192
4-[(4-methylphenyl)methyl]-2-piperidin-4-ylpyridine
CID 95846621
2-chloro-6-methyl-4-piperidin-4-ylpyridine;ethane
CID 144796408
3-methyl-7-piperidin-4-ylisoquinoline
CID 117325822

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-6-piperidin-4-ylpyrimidine?
The IUPAC name of ethane;4-methyl-6-piperidin-4-ylpyrimidine (CID 156866594) is ethane;4-methyl-6-piperidin-4-ylpyrimidine.
What is the SMILES notation for ethane;4-methyl-6-piperidin-4-ylpyrimidine?
The canonical SMILES for ethane;4-methyl-6-piperidin-4-ylpyrimidine is CC.Cc1cc(C2CCNCC2)ncn1.
What is the InChIKey of ethane;4-methyl-6-piperidin-4-ylpyrimidine?
The InChIKey is ABXLBUXLCKDGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.C2H6/c1-8-6-10(13-7-12-8)9-2-4-11-5-3-9;1-2/h6-7,9,11H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-6-piperidin-4-ylpyrimidine?
ethane;4-methyl-6-piperidin-4-ylpyrimidine has a molecular weight of 207.32 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-6-piperidin-4-ylpyrimidine is sourced from PubChem (CID 156866594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).