1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carboxamide

C11H15N3O3 — CID 2823228

IUPAC1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carboxamide
SMILESCCCn1c(=O)c(C(N)=O)cn(C2CC2)c1=O
InChIInChI=1S/C11H15N3O3/c1-2-5-13-10(16)8(9(12)15)6-14(11(13)17)7-3-4-7/h6-7H,2-5H2,1H3,(H2,12,15)
InChIKeyCQFQAIFWUZHVTP-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.15
Rot. Bonds4

About 1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carboxamide

1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carboxamide (PubChem CID 2823228) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carboxamide
PubChem CID2823228
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carboxamide
SMILESCCCn1c(=O)c(C(N)=O)cn(C2CC2)c1=O
InChIInChI=1S/C11H15N3O3/c1-2-5-13-10(16)8(9(12)15)6-14(11(13)17)7-3-4-7/h6-7H,2-5H2,1H3,(H2,12,15)
InChIKeyCQFQAIFWUZHVTP-UHFFFAOYSA-N
XLogP-0.15
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carboxamide?
The IUPAC name of 1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carboxamide (CID 2823228) is 1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carboxamide?
The canonical SMILES for 1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carboxamide is CCCn1c(=O)c(C(N)=O)cn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carboxamide?
The InChIKey is CQFQAIFWUZHVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-5-13-10(16)8(9(12)15)6-14(11(13)17)7-3-4-7/h6-7H,2-5H2,1H3,(H2,12,15).
What are the key properties of 1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carboxamide?
1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carboxamide has a molecular weight of 237.26 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 2823228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).