2,4-dioxo-N-propyl-1H-pyrimidine-3-carboxamide

C8H11N3O3 — CID 10241815

IUPAC2,4-dioxo-N-propyl-1H-pyrimidine-3-carboxamide
SMILESCCCNC(=O)n1c(=O)cc[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-2-4-9-7(13)11-6(12)3-5-10-8(11)14/h3,5H,2,4H2,1H3,(H,9,13)(H,10,14)
InChIKeyQWTSOJFPYSHQTF-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.50
Rot. Bonds2

About 2,4-dioxo-N-propyl-1H-pyrimidine-3-carboxamide

2,4-dioxo-N-propyl-1H-pyrimidine-3-carboxamide (PubChem CID 10241815) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2,4-dioxo-N-propyl-1H-pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-propyl-1H-pyrimidine-3-carboxamide
PubChem CID10241815
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2,4-dioxo-N-propyl-1H-pyrimidine-3-carboxamide
SMILESCCCNC(=O)n1c(=O)cc[nH]c1=O
InChIInChI=1S/C8H11N3O3/c1-2-4-9-7(13)11-6(12)3-5-10-8(11)14/h3,5H,2,4H2,1H3,(H,9,13)(H,10,14)
InChIKeyQWTSOJFPYSHQTF-UHFFFAOYSA-N
XLogP-0.50
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-propyl-1H-pyrimidine-3-carboxamide?
The IUPAC name of 2,4-dioxo-N-propyl-1H-pyrimidine-3-carboxamide (CID 10241815) is 2,4-dioxo-N-propyl-1H-pyrimidine-3-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-propyl-1H-pyrimidine-3-carboxamide?
The canonical SMILES for 2,4-dioxo-N-propyl-1H-pyrimidine-3-carboxamide is CCCNC(=O)n1c(=O)cc[nH]c1=O.
What is the InChIKey of 2,4-dioxo-N-propyl-1H-pyrimidine-3-carboxamide?
The InChIKey is QWTSOJFPYSHQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-4-9-7(13)11-6(12)3-5-10-8(11)14/h3,5H,2,4H2,1H3,(H,9,13)(H,10,14).
What are the key properties of 2,4-dioxo-N-propyl-1H-pyrimidine-3-carboxamide?
2,4-dioxo-N-propyl-1H-pyrimidine-3-carboxamide has a molecular weight of 197.19 g/mol, XLogP of -0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-propyl-1H-pyrimidine-3-carboxamide is sourced from PubChem (CID 10241815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).