5-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one

C11H15N5O2 — CID 167901261

IUPAC5-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(Cc2nc(N(C)C)no2)c(=O)[nH]1
InChIInChI=1S/C11H15N5O2/c1-6-8(10(17)13-7(2)12-6)5-9-14-11(15-18-9)16(3)4/h5H2,1-4H3,(H,12,13,17)
InChIKeyREWGZTPQWCGDQS-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.43
Rot. Bonds3

About 5-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one

5-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one (PubChem CID 167901261) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one
PubChem CID167901261
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name5-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(Cc2nc(N(C)C)no2)c(=O)[nH]1
InChIInChI=1S/C11H15N5O2/c1-6-8(10(17)13-7(2)12-6)5-9-14-11(15-18-9)16(3)4/h5H2,1-4H3,(H,12,13,17)
InChIKeyREWGZTPQWCGDQS-UHFFFAOYSA-N
XLogP0.43
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one 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-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 97446207
6-methyl-5-[[3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione
CID 97446208
3-methyl-4-oxo-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 132382296
5-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,6-dimethyl-4-pyrimidinol trifluoroacetate (salt)
CID 135882211
2-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 136056290
2,6-dimethyl-5-{2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl}pyrimidin-4(3H)-one
CID 136988518
2,4-dimethyl-5-[2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 137098608
2,4-dimethyl-5-[2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 137098609
N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 154876792

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one (CID 167901261) is 5-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one is Cc1nc(C)c(Cc2nc(N(C)C)no2)c(=O)[nH]1.
What is the InChIKey of 5-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
The InChIKey is REWGZTPQWCGDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-6-8(10(17)13-7(2)12-6)5-9-14-11(15-18-9)16(3)4/h5H2,1-4H3,(H,12,13,17).
What are the key properties of 5-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one?
5-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one has a molecular weight of 249.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,4-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 167901261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).