3-methyl-N-morpholin-4-yl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C10H14N4O4 — CID 71778356

IUPAC3-methyl-N-morpholin-4-yl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NN2CCOCC2)c1=O
InChIInChI=1S/C10H14N4O4/c1-13-9(16)7(6-11-10(13)17)8(15)12-14-2-4-18-5-3-14/h6H,2-5H2,1H3,(H,11,17)(H,12,15)
InChIKeyVSHXUYVAQXRFFZ-UHFFFAOYSA-N
MW254.25 g/mol
LogP-1.95
Rot. Bonds2

About 3-methyl-N-morpholin-4-yl-2,4-dioxo-1H-pyrimidine-5-carboxamide

3-methyl-N-morpholin-4-yl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 71778356) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3-methyl-N-morpholin-4-yl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-morpholin-4-yl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID71778356
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name3-methyl-N-morpholin-4-yl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)NN2CCOCC2)c1=O
InChIInChI=1S/C10H14N4O4/c1-13-9(16)7(6-11-10(13)17)8(15)12-14-2-4-18-5-3-14/h6H,2-5H2,1H3,(H,11,17)(H,12,15)
InChIKeyVSHXUYVAQXRFFZ-UHFFFAOYSA-N
XLogP-1.95
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-1.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-morpholin-4-yl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-methyl-N-morpholin-4-yl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 71778356) is 3-methyl-N-morpholin-4-yl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-methyl-N-morpholin-4-yl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-methyl-N-morpholin-4-yl-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cn1c(=O)[nH]cc(C(=O)NN2CCOCC2)c1=O.
What is the InChIKey of 3-methyl-N-morpholin-4-yl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is VSHXUYVAQXRFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-13-9(16)7(6-11-10(13)17)8(15)12-14-2-4-18-5-3-14/h6H,2-5H2,1H3,(H,11,17)(H,12,15).
What are the key properties of 3-methyl-N-morpholin-4-yl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
3-methyl-N-morpholin-4-yl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 254.25 g/mol, XLogP of -1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-morpholin-4-yl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 71778356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).