ethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C9H14N2O2 — CID 144956136

IUPACethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCC.O=c1[nH]cnc2c1COCC2
InChIInChI=1S/C7H8N2O2.C2H6/c10-7-5-3-11-2-1-6(5)8-4-9-7;1-2/h4H,1-3H2,(H,8,9,10);1-2H3
InChIKeyZWHBUBKMJDHOHO-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.87
Rot. Bonds

About ethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

ethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 144956136) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Nameethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID144956136
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Nameethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCC.O=c1[nH]cnc2c1COCC2
InChIInChI=1S/C7H8N2O2.C2H6/c10-7-5-3-11-2-1-6(5)8-4-9-7;1-2/h4H,1-3H2,(H,8,9,10);1-2H3
InChIKeyZWHBUBKMJDHOHO-UHFFFAOYSA-N
XLogP0.87
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5H,7H,8H-pyrano(4,3-d)pyrimidin-4-ol
CID 135741873
8-Ethyl-3,5-dihydropyrano[4,3-d]pyrimidin-4-one
CID 139250530
Ethyl 6-ethyl-4-hydroxypyrimidine-5-carboxylate
CID 135616682
2-Methyl-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 135741851
2-((propylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136244072
2-(Methylaminomethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136244073
2-amino-5H,7H,8H-pyrano[4,3-d]pyrimidin-4-ol
CID 136330644
Methyl-(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)carbamic acid
CID 136627211
N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]acetamide
CID 136627212
2-(Methylthio)-3,5,7,8-tetrahydro-4H-pyrano[4,3-d]pyrimidin-4-one
CID 137046960
2-Iodo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 137314890
Ethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144917818

Frequently Asked Questions

What is the IUPAC name of ethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of ethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 144956136) is ethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for ethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for ethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is CC.O=c1[nH]cnc2c1COCC2.
What is the InChIKey of ethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is ZWHBUBKMJDHOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.C2H6/c10-7-5-3-11-2-1-6(5)8-4-9-7;1-2/h4H,1-3H2,(H,8,9,10);1-2H3.
What are the key properties of ethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
ethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 182.22 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 144956136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).