6-methyl-5-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione

C12H14N4O4 — CID 97446207

IUPAC6-methyl-5-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1Cc1nc([C@@H]2CCOC2)no1
InChIInChI=1S/C12H14N4O4/c1-6-8(11(17)15-12(18)13-6)4-9-14-10(16-20-9)7-2-3-19-5-7/h7H,2-5H2,1H3,(H2,13,15,17,18)/t7-/m1/s1
InChIKeyICDUSBHRGBPGEY-SSDOTTSWSA-N
MW278.27 g/mol
LogP-0.15
Rot. Bonds3

About 6-methyl-5-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione

6-methyl-5-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 97446207) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 6-methyl-5-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID97446207
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name6-methyl-5-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1Cc1nc([C@@H]2CCOC2)no1
InChIInChI=1S/C12H14N4O4/c1-6-8(11(17)15-12(18)13-6)4-9-14-10(16-20-9)7-2-3-19-5-7/h7H,2-5H2,1H3,(H2,13,15,17,18)/t7-/m1/s1
InChIKeyICDUSBHRGBPGEY-SSDOTTSWSA-N
XLogP-0.15
TPSA113.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methyl-5-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

6-methyl-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 33702207
6-methyl-5-{[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]methyl}pyrimidine-2,4(1H,3H)-dione
CID 72906947
6-methyl-5-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 97446208
5-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethyl-4-pyrimidinol trifluoroacetate (salt)
CID 135882211
5-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 167901261

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione (CID 97446207) is 6-methyl-5-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1Cc1nc([C@@H]2CCOC2)no1.
What is the InChIKey of 6-methyl-5-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is ICDUSBHRGBPGEY-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-6-8(11(17)15-12(18)13-6)4-9-14-10(16-20-9)7-2-3-19-5-7/h7H,2-5H2,1H3,(H2,13,15,17,18)/t7-/m1/s1.
What are the key properties of 6-methyl-5-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione?
6-methyl-5-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 278.27 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 97446207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).