6-cyclopropyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile

C8H7N3O2 — CID 82410599

IUPAC6-cyclopropyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(C2CC2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H7N3O2/c9-3-5-6(4-1-2-4)10-8(13)11-7(5)12/h4H,1-2H2,(H2,10,11,12,13)
InChIKeyPKMJHWUQZUGLDW-UHFFFAOYSA-N
MW177.16 g/mol
LogP-0.19
Rot. Bonds1

About 6-cyclopropyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile

6-cyclopropyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile (PubChem CID 82410599) has the molecular formula C8H7N3O2 and a molecular weight of 177.16 g/mol. Its IUPAC name is 6-cyclopropyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
PubChem CID82410599
Molecular FormulaC8H7N3O2
Molecular Weight177.16 g/mol
Exact Mass177.05
IUPAC Name6-cyclopropyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(C2CC2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H7N3O2/c9-3-5-6(4-1-2-4)10-8(13)11-7(5)12/h4H,1-2H2,(H2,10,11,12,13)
InChIKeyPKMJHWUQZUGLDW-UHFFFAOYSA-N
XLogP-0.19
TPSA89.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 13352862
5-Methyl-6-propyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 89411807
4-Cyclopropyl-2-Mercapto-6-Oxo-1,6-Dihydro-Pyrimidine-5-Carbonitrile
CID 89752160
6-tert-butyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
CID 178262667
6-Cyclopropyl-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 12512055

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 6-cyclopropyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile (CID 82410599) is 6-cyclopropyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 6-cyclopropyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile is N#Cc1c(C2CC2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-cyclopropyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is PKMJHWUQZUGLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2/c9-3-5-6(4-1-2-4)10-8(13)11-7(5)12/h4H,1-2H2,(H2,10,11,12,13).
What are the key properties of 6-cyclopropyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile?
6-cyclopropyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 177.16 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 82410599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).