ethane;2-methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C14H24N2O — CID 142894114

IUPACethane;2-methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC.CCCc1c(C)nc2n(c1=O)CCCC2
InChIInChI=1S/C12H18N2O.C2H6/c1-3-6-10-9(2)13-11-7-4-5-8-14(11)12(10)15;1-2/h3-8H2,1-2H3;1-2H3
InChIKeyRHCIZUJIMSQPBD-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.87
Rot. Bonds2

About ethane;2-methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

ethane;2-methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 142894114) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is ethane;2-methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Nameethane;2-methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID142894114
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Nameethane;2-methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC.CCCc1c(C)nc2n(c1=O)CCCC2
InChIInChI=1S/C12H18N2O.C2H6/c1-3-6-10-9(2)13-11-7-4-5-8-14(11)12(10)15;1-2/h3-8H2,1-2H3;1-2H3
InChIKeyRHCIZUJIMSQPBD-UHFFFAOYSA-N
XLogP2.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4,6,7,8,9-Octahydro-pyrido[2,1-b]quinazolin-11-one
CID 526440
2,3,4,6,7,8,9,10-octahydro-1H-azepino[2,1-b]quinazolin-12-one;hydrochloride
CID 13183098
3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno
CID 523978
3H-Pyrimidin-4-one, 2,3-tetramethyleno-5,6-trimethyleno
CID 523980
2,3,4,6,7,8,9,10-Octahydro-1H-cyclohepta[d]pyrido[1,2-a]pyrimidin-11-one
CID 12485602
9-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 12485605
3-(2-Chloroethyl)-2-methyl-6,7,8,9-tetrahydro-4hpyrido(1,2-a)pyrimidin-4-one
CID 2763079
3-(2-Aminoethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 11367765
1,2,3,4,6,7,8,9,10,11-Decahydro-5,11a-diaza-cycloocta[b]naphthalen-12-one
CID 13197377
6-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 13081389
7-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 13081390
8-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 13081391

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of ethane;2-methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 142894114) is ethane;2-methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for ethane;2-methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for ethane;2-methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC.CCCc1c(C)nc2n(c1=O)CCCC2.
What is the InChIKey of ethane;2-methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RHCIZUJIMSQPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.C2H6/c1-3-6-10-9(2)13-11-7-4-5-8-14(11)12(10)15;1-2/h3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
ethane;2-methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 236.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142894114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).