5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one

C12H19N3O — CID 139542427

IUPAC5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one
SMILESCCCCc1c(CC)c(=O)nc2n1CCN2
InChIInChI=1S/C12H19N3O/c1-3-5-6-10-9(4-2)11(16)14-12-13-7-8-15(10)12/h3-8H2,1-2H3,(H,13,14,16)
InChIKeyASPGBCSZQYCWRW-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.57
Rot. Bonds4

About 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one

5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one (PubChem CID 139542427) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one
PubChem CID139542427
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one
SMILESCCCCc1c(CC)c(=O)nc2n1CCN2
InChIInChI=1S/C12H19N3O/c1-3-5-6-10-9(4-2)11(16)14-12-13-7-8-15(10)12/h3-8H2,1-2H3,(H,13,14,16)
InChIKeyASPGBCSZQYCWRW-UHFFFAOYSA-N
XLogP1.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5H-Cyclopentapyrimidin-4-ol, 6,7-dihydro-2-(4-methyl-1-piperazinyl)-
CID 135445467
5-butyl-6-methyl-2-tetrahydro-1H-pyrrol-1-ylpyrimidin-4-ol
CID 135418935
2-(4-ethylpiperazin-1-yl)-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one
CID 135644652
2-Diethylamino-6-methyl-5-n-propyl-4(3h)-pyrimidinone
CID 135698489
4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135473139
Imidazo(1,2-a)pyrimidin-5(1H)-one, 6-ethyl-2,3-dihydro-7-methyl-
CID 152767
6-Methyl-5-(3-methylbutyl)-2-(pyrrolidin-1-YL)pyrimidin-4-OL
CID 135473131
2-{methyl[(1-methylpyrrolidin-2-yl)methyl]amino}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 136092972
2,3,6,7,8,9-hexahydro-1H-imidazo[2,1-b]quinazolin-5-one
CID 135507764
1,8,10-Triazatricyclo[7.3.0.03,7]dodeca-3(7),8-dien-2-one
CID 135525211
6-Methyl-5-pentyl-2-(pyrrolidin-1-yl)pyrimidin-4-ol
CID 135656132
2-(diethylamino)-5-ethyl-4-propyl-1H-pyrimidin-6-one
CID 135677606

Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one?
The IUPAC name of 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one (CID 139542427) is 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one.
What is the SMILES notation for 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one?
The canonical SMILES for 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one is CCCCc1c(CC)c(=O)nc2n1CCN2.
What is the InChIKey of 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one?
The InChIKey is ASPGBCSZQYCWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-5-6-10-9(4-2)11(16)14-12-13-7-8-15(10)12/h3-8H2,1-2H3,(H,13,14,16).
What are the key properties of 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one?
5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one has a molecular weight of 221.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-ethyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-7-one is sourced from PubChem (CID 139542427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).