ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one;6-methyl-2,3,4,5-tetrahydropyridine

C15H31N3O — CID 161456762

IUPACethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one;6-methyl-2,3,4,5-tetrahydropyridine
SMILESCC.CC.CC1=NCCC(=O)N1.CC1=NCCCC1
InChIInChI=1S/C6H11N.C5H8N2O.2C2H6/c1-6-4-2-3-5-7-6;1-4-6-3-2-5(8)7-4;2*1-2/h2-5H2,1H3;2-3H2,1H3,(H,6,7,8);2*1-2H3
InChIKeyWBGGYXNEPOHBCW-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.61
Rot. Bonds

About ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one;6-methyl-2,3,4,5-tetrahydropyridine

ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one;6-methyl-2,3,4,5-tetrahydropyridine (PubChem CID 161456762) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one;6-methyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Nameethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one;6-methyl-2,3,4,5-tetrahydropyridine
PubChem CID161456762
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Nameethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one;6-methyl-2,3,4,5-tetrahydropyridine
SMILESCC.CC.CC1=NCCC(=O)N1.CC1=NCCCC1
InChIInChI=1S/C6H11N.C5H8N2O.2C2H6/c1-6-4-2-3-5-7-6;1-4-6-3-2-5(8)7-4;2*1-2/h2-5H2,1H3;2-3H2,1H3,(H,6,7,8);2*1-2H3
InChIKeyWBGGYXNEPOHBCW-UHFFFAOYSA-N
XLogP3.61
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one;6-methyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one;6-methyl-2,3,4,5-tetrahydropyridine (CID 161456762) is ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one;6-methyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one;6-methyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one;6-methyl-2,3,4,5-tetrahydropyridine is CC.CC.CC1=NCCC(=O)N1.CC1=NCCCC1.
What is the InChIKey of ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one;6-methyl-2,3,4,5-tetrahydropyridine?
The InChIKey is WBGGYXNEPOHBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C5H8N2O.2C2H6/c1-6-4-2-3-5-7-6;1-4-6-3-2-5(8)7-4;2*1-2/h2-5H2,1H3;2-3H2,1H3,(H,6,7,8);2*1-2H3.
What are the key properties of ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one;6-methyl-2,3,4,5-tetrahydropyridine?
ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one;6-methyl-2,3,4,5-tetrahydropyridine has a molecular weight of 269.43 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-4,5-dihydro-1H-pyrimidin-6-one;6-methyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 161456762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).