1,3-dimethyl-N-(oxan-4-yl)-2,6-dioxopyrimidine-4-carboxamide

C12H17N3O4 — CID 72933861

IUPAC1,3-dimethyl-N-(oxan-4-yl)-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(=O)NC2CCOCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H17N3O4/c1-14-9(7-10(16)15(2)12(14)18)11(17)13-8-3-5-19-6-4-8/h7-8H,3-6H2,1-2H3,(H,13,17)
InChIKeyQOBPBZXDMFKVKD-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.01
Rot. Bonds2

About 1,3-dimethyl-N-(oxan-4-yl)-2,6-dioxopyrimidine-4-carboxamide

1,3-dimethyl-N-(oxan-4-yl)-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 72933861) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1,3-dimethyl-N-(oxan-4-yl)-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(oxan-4-yl)-2,6-dioxopyrimidine-4-carboxamide
PubChem CID72933861
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1,3-dimethyl-N-(oxan-4-yl)-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(=O)NC2CCOCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H17N3O4/c1-14-9(7-10(16)15(2)12(14)18)11(17)13-8-3-5-19-6-4-8/h7-8H,3-6H2,1-2H3,(H,13,17)
InChIKeyQOBPBZXDMFKVKD-UHFFFAOYSA-N
XLogP-1.01
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-2,6-dioxo-N-[1-(thian-4-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 72837326
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 91786905
1,3-dimethyl-N-[(1S,5R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.2.0]heptan-6-yl]-2,6-dioxopyrimidine-4-carboxamide
CID 92558119
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
N-(oxan-4-yl)-2-propan-2-ylbenzamide
CID 177167403
4-[4-(tert-butylsulfamoyl)-3-propan-2-ylphenyl]-5-(cyclohexylmethyl)-1-methyl-N-(oxan-4-yl)pyrrole-2-carboxamide
CID 123890810
4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide
CID 110610555
3-(oxan-4-ylcarbamoyl)benzoic acid
CID 43610555
1,3-dimethyl-6-[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]pyrimidine-2,4-dione
CID 169414514
4-[4-(tert-butylsulfamoyl)-3-cyanophenyl]-5-(cyclohexylmethyl)-1-methyl-N-(oxan-4-yl)pyrrole-2-carboxamide
CID 118544883
1,3-dimethyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dioxopyrimidine-4-carboxamide
CID 72914217
1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea
CID 110608289

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(oxan-4-yl)-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(oxan-4-yl)-2,6-dioxopyrimidine-4-carboxamide (CID 72933861) is 1,3-dimethyl-N-(oxan-4-yl)-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(oxan-4-yl)-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(oxan-4-yl)-2,6-dioxopyrimidine-4-carboxamide is Cn1c(C(=O)NC2CCOCC2)cc(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-N-(oxan-4-yl)-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is QOBPBZXDMFKVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-14-9(7-10(16)15(2)12(14)18)11(17)13-8-3-5-19-6-4-8/h7-8H,3-6H2,1-2H3,(H,13,17).
What are the key properties of 1,3-dimethyl-N-(oxan-4-yl)-2,6-dioxopyrimidine-4-carboxamide?
1,3-dimethyl-N-(oxan-4-yl)-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 267.28 g/mol, XLogP of -1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(oxan-4-yl)-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 72933861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).