4-hydroxy-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one

C10H14N2O4 — CID 116745101

IUPAC4-hydroxy-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)cc(=O)[nH]2)CCOCC1
InChIInChI=1S/C10H14N2O4/c1-15-10(2-4-16-5-3-10)9-11-7(13)6-8(14)12-9/h6H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyOBKCCNCCDAOBDM-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.13
Rot. Bonds2

About 4-hydroxy-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one

4-hydroxy-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one (PubChem CID 116745101) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-hydroxy-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
PubChem CID116745101
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name4-hydroxy-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)cc(=O)[nH]2)CCOCC1
InChIInChI=1S/C10H14N2O4/c1-15-10(2-4-16-5-3-10)9-11-7(13)6-8(14)12-9/h6H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyOBKCCNCCDAOBDM-UHFFFAOYSA-N
XLogP0.13
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(tetrahydro-2H-pyran-4-yl)pyrimidine-4,6-diol
CID 59198396
4-hydroxy-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80166106
4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691518
4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609913
4-hydroxy-2-(4-methoxyoxan-4-yl)-5-methyl-1H-pyrimidin-6-one
CID 113559536
5-bromo-2-(4-ethoxyoxan-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559552
2-(4-ethoxyoxan-4-yl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 113559553
2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 116705667
2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 116744922
2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 116744926
4-hydroxy-2-(2-methoxybutan-2-yl)-1H-pyrimidin-6-one
CID 116745097
2-(2-ethoxybutan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745098

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one (CID 116745101) is 4-hydroxy-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one is COC1(c2nc(O)cc(=O)[nH]2)CCOCC1.
What is the InChIKey of 4-hydroxy-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one?
The InChIKey is OBKCCNCCDAOBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-15-10(2-4-16-5-3-10)9-11-7(13)6-8(14)12-9/h6H,2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one?
4-hydroxy-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one has a molecular weight of 226.23 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116745101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).