4-hydroxy-5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one

C8H10N2O3 — CID 170476227

IUPAC4-hydroxy-5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1C=CCCO
InChIInChI=1S/C8H10N2O3/c11-4-2-1-3-6-7(12)9-5-10-8(6)13/h1,3,5,11H,2,4H2,(H2,9,10,12,13)
InChIKeyXCECFSFQBBDXPB-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.13
Rot. Bonds3

About 4-hydroxy-5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one

4-hydroxy-5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one (PubChem CID 170476227) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-hydroxy-5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one
PubChem CID170476227
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-hydroxy-5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1C=CCCO
InChIInChI=1S/C8H10N2O3/c11-4-2-1-3-6-7(12)9-5-10-8(6)13/h1,3,5,11H,2,4H2,(H2,9,10,12,13)
InChIKeyXCECFSFQBBDXPB-UHFFFAOYSA-N
XLogP-0.13
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-hydroxybut-1-enyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 170477164
5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one
CID 169452864
4-hydroxy-5-(3-hydroxyprop-1-enyl)-1H-pyrimidin-6-one
CID 169453027
3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enal
CID 169458809
5-(3-aminoprop-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
CID 169463272
N-[3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)prop-2-enyl]acetamide
CID 169465111
4-hydroxy-5-[3-(methylamino)prop-1-enyl]-1H-pyrimidin-6-one
CID 169473275
5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one
CID 170476017
4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enal
CID 170481532
4-(6-oxo-1H-pyrimidin-5-yl)but-3-enoic acid
CID 170483047
4-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)but-3-enoic acid
CID 170483248
5-(4-azidobut-1-enyl)-4-hydroxy-1H-pyrimidin-6-one
CID 170484940

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one (CID 170476227) is 4-hydroxy-5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one is O=c1[nH]cnc(O)c1C=CCCO.
What is the InChIKey of 4-hydroxy-5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one?
The InChIKey is XCECFSFQBBDXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-4-2-1-3-6-7(12)9-5-10-8(6)13/h1,3,5,11H,2,4H2,(H2,9,10,12,13).
What are the key properties of 4-hydroxy-5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one?
4-hydroxy-5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one has a molecular weight of 182.18 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(4-hydroxybut-1-enyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 170476227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).