7-[(1S)-2,2-difluorocyclopropanecarbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione

C11H11F2N3O3 — CID 166293399

IUPAC7-[(1S)-2,2-difluorocyclopropanecarbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESO=C([C@@H]1CC1(F)F)N1CCc2c([nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H11F2N3O3/c12-11(13)3-6(11)9(18)16-2-1-5-7(4-16)14-10(19)15-8(5)17/h6H,1-4H2,(H2,14,15,17,19)/t6-/m0/s1
InChIKeyUDBBVCJCHQTAMJ-LURJTMIESA-N
MW271.22 g/mol
LogP-0.40
Rot. Bonds1

About 7-[(1S)-2,2-difluorocyclopropanecarbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione

7-[(1S)-2,2-difluorocyclopropanecarbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (PubChem CID 166293399) has the molecular formula C11H11F2N3O3 and a molecular weight of 271.22 g/mol. Its IUPAC name is 7-[(1S)-2,2-difluorocyclopropanecarbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[(1S)-2,2-difluorocyclopropanecarbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
PubChem CID166293399
Molecular FormulaC11H11F2N3O3
Molecular Weight271.22 g/mol
Exact Mass271.08
IUPAC Name7-[(1S)-2,2-difluorocyclopropanecarbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESO=C([C@@H]1CC1(F)F)N1CCc2c([nH]c(=O)[nH]c2=O)C1
InChIInChI=1S/C11H11F2N3O3/c12-11(13)3-6(11)9(18)16-2-1-5-7(4-16)14-10(19)15-8(5)17/h6H,1-4H2,(H2,14,15,17,19)/t6-/m0/s1
InChIKeyUDBBVCJCHQTAMJ-LURJTMIESA-N
XLogP-0.40
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[(1S)-2,2-difluorocyclopropanecarbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(1S)-2,2-difluorocyclopropanecarbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[(1S)-2,2-difluorocyclopropanecarbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (CID 166293399) is 7-[(1S)-2,2-difluorocyclopropanecarbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[(1S)-2,2-difluorocyclopropanecarbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[(1S)-2,2-difluorocyclopropanecarbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is O=C([C@@H]1CC1(F)F)N1CCc2c([nH]c(=O)[nH]c2=O)C1.
What is the InChIKey of 7-[(1S)-2,2-difluorocyclopropanecarbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The InChIKey is UDBBVCJCHQTAMJ-LURJTMIESA-N. The full InChI is InChI=1S/C11H11F2N3O3/c12-11(13)3-6(11)9(18)16-2-1-5-7(4-16)14-10(19)15-8(5)17/h6H,1-4H2,(H2,14,15,17,19)/t6-/m0/s1.
What are the key properties of 7-[(1S)-2,2-difluorocyclopropanecarbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
7-[(1S)-2,2-difluorocyclopropanecarbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione has a molecular weight of 271.22 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S)-2,2-difluorocyclopropanecarbonyl]-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 166293399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).