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

C11H13N3O2 — CID 2823226

IUPAC1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carbonitrile
SMILESCCCn1c(=O)c(C#N)cn(C2CC2)c1=O
InChIInChI=1S/C11H13N3O2/c1-2-5-13-10(15)8(6-12)7-14(11(13)16)9-3-4-9/h7,9H,2-5H2,1H3
InChIKeyCVZJBTBZULIAQT-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.63
Rot. Bonds3

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

1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carbonitrile (PubChem CID 2823226) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carbonitrile
PubChem CID2823226
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carbonitrile
SMILESCCCn1c(=O)c(C#N)cn(C2CC2)c1=O
InChIInChI=1S/C11H13N3O2/c1-2-5-13-10(15)8(6-12)7-14(11(13)16)9-3-4-9/h7,9H,2-5H2,1H3
InChIKeyCVZJBTBZULIAQT-UHFFFAOYSA-N
XLogP0.63
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.63
H-Bond Donors ≤ 50
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-carbonitrile?
The IUPAC name of 1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carbonitrile (CID 2823226) is 1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carbonitrile is CCCn1c(=O)c(C#N)cn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carbonitrile?
The InChIKey is CVZJBTBZULIAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-5-13-10(15)8(6-12)7-14(11(13)16)9-3-4-9/h7,9H,2-5H2,1H3.
What are the key properties of 1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carbonitrile?
1-cyclopropyl-2,4-dioxo-3-propylpyrimidine-5-carbonitrile has a molecular weight of 219.24 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 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-carbonitrile is sourced from PubChem (CID 2823226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).