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

C12H17N3O4 — CID 72933861

Data last refreshed: (MolForge compound catalog, from PubChem)

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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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).

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