2-ethyl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one

C9H12N2O2 — CID 140511865

IUPAC2-ethyl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one
SMILESCCc1cc(=O)n2c(n1)COCC2
InChIInChI=1S/C9H12N2O2/c1-2-7-5-9(12)11-3-4-13-6-8(11)10-7/h5H,2-4,6H2,1H3
InChIKeyVSMKZPYBPRBZAP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.34
Rot. Bonds1

About 2-ethyl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one

2-ethyl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one (PubChem CID 140511865) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-ethyl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one.

Molecular Properties

Compound Name2-ethyl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one
PubChem CID140511865
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-ethyl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one
SMILESCCc1cc(=O)n2c(n1)COCC2
InChIInChI=1S/C9H12N2O2/c1-2-7-5-9(12)11-3-4-13-6-8(11)10-7/h5H,2-4,6H2,1H3
InChIKeyVSMKZPYBPRBZAP-UHFFFAOYSA-N
XLogP0.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 90871963
4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 91135937
2,3-di(ethylidene)-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one
CID 123444466
1-(5-methyl-4H-pyridin-4-id-2-yl)-4-morpholin-4-ylpyridin-2-one;yttrium
CID 172337029
2,6-Dimethyl-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 7748970
7-Methyl-2-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 8479198
3-allyl-6-ethyl-2-morpholino-4(3H)-pyrimidinone
CID 53201011
3-(2-Ethoxyethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-one
CID 53201014
4,8-Dimethyl-2-morpholin-4-ylpyrimido[1,2-a][1,3,5]triazin-6-one
CID 60143468
2,6-Dimethyl-3-[2-(morpholin-4-yl)ethyl]-3,4-dihydropyrimidin-4-one
CID 126857719
4-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136293435
4-ethyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136295879

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one?
The IUPAC name of 2-ethyl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one (CID 140511865) is 2-ethyl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one.
What is the SMILES notation for 2-ethyl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one?
The canonical SMILES for 2-ethyl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one is CCc1cc(=O)n2c(n1)COCC2.
What is the InChIKey of 2-ethyl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one?
The InChIKey is VSMKZPYBPRBZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-7-5-9(12)11-3-4-13-6-8(11)10-7/h5H,2-4,6H2,1H3.
What are the key properties of 2-ethyl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one?
2-ethyl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one has a molecular weight of 180.21 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazin-4-one is sourced from PubChem (CID 140511865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).