1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile

C9H9N3O2 — CID 125449199

IUPAC1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile
SMILESCc1c(C#N)c(=O)[nH]c(=O)n1C1CC1
InChIInChI=1S/C9H9N3O2/c1-5-7(4-10)8(13)11-9(14)12(5)6-2-3-6/h6H,2-3H2,1H3,(H,11,13,14)
InChIKeySJOPQKKTPUJSKS-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.05
Rot. Bonds1

About 1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile

1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 125449199) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID125449199
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile
SMILESCc1c(C#N)c(=O)[nH]c(=O)n1C1CC1
InChIInChI=1S/C9H9N3O2/c1-5-7(4-10)8(13)11-9(14)12(5)6-2-3-6/h6H,2-3H2,1H3,(H,11,13,14)
InChIKeySJOPQKKTPUJSKS-UHFFFAOYSA-N
XLogP0.05
TPSA78.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile (CID 125449199) is 1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile is Cc1c(C#N)c(=O)[nH]c(=O)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is SJOPQKKTPUJSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-5-7(4-10)8(13)11-9(14)12(5)6-2-3-6/h6H,2-3H2,1H3,(H,11,13,14).
What are the key properties of 1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile?
1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 191.19 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 125449199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).