3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione

C8H10N2O3 — CID 12502126

IUPAC3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1C1CCCO1
InChIInChI=1S/C8H10N2O3/c11-6-3-4-9-8(12)10(6)7-2-1-5-13-7/h3-4,7H,1-2,5H2,(H,9,12)
InChIKeyALBNIGFLZXAYBX-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.15
Rot. Bonds1

About 3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione

3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione (PubChem CID 12502126) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione
PubChem CID12502126
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1C1CCCO1
InChIInChI=1S/C8H10N2O3/c11-6-3-4-9-8(12)10(6)7-2-1-5-13-7/h3-4,7H,1-2,5H2,(H,9,12)
InChIKeyALBNIGFLZXAYBX-UHFFFAOYSA-N
XLogP-0.15
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tegafur
CID 5386
Tegafur-Uracil
CID 104747
(R)-Ftorafur
CID 288216
2,4(1H,3H)-Pyrimidinedione, 5-fluoro-3-(tetrahydro-2-furanyl)-
CID 125110
Stk593046
CID 2982085
Tetrahydrofuryluracil
CID 267369
Tegafur, (S)-
CID 148755
Tetrahydrofuranylthymine
CID 267376
3-Fluoro-1-(oxolan-2-yl)pyrimidine-2,4-dione
CID 54351125
5-Iodo-1-(tetrahydrofuran-2-yl)pyrimidine-2,4(1h,3h)-dione
CID 270503
1-(2-Fluoromethyltetrahydro-2-furyl)uracil
CID 23261043
(2-Fluoromethyltetrahydro-2-furyl)uracil
CID 129790559

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione (CID 12502126) is 3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1C1CCCO1.
What is the InChIKey of 3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is ALBNIGFLZXAYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-6-3-4-9-8(12)10(6)7-2-1-5-13-7/h3-4,7H,1-2,5H2,(H,9,12).
What are the key properties of 3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione?
3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 182.18 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 12502126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).