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

C11H13N3O3 — CID 11521517

IUPAC6-(cyclopropanecarbonyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
SMILESO=C(C1CC1)N1CCc2[nH]c(=O)[nH]c(=O)c2C1
InChIInChI=1S/C11H13N3O3/c15-9-7-5-14(10(16)6-1-2-6)4-3-8(7)12-11(17)13-9/h6H,1-5H2,(H2,12,13,15,17)
InChIKeyDFQFCSOUBRPSKZ-UHFFFAOYSA-N
MW235.24 g/mol
LogP-0.64
Rot. Bonds1

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

6-(cyclopropanecarbonyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione (PubChem CID 11521517) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 6-(cyclopropanecarbonyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(cyclopropanecarbonyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
PubChem CID11521517
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name6-(cyclopropanecarbonyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione
SMILESO=C(C1CC1)N1CCc2[nH]c(=O)[nH]c(=O)c2C1
InChIInChI=1S/C11H13N3O3/c15-9-7-5-14(10(16)6-1-2-6)4-3-8(7)12-11(17)13-9/h6H,1-5H2,(H2,12,13,15,17)
InChIKeyDFQFCSOUBRPSKZ-UHFFFAOYSA-N
XLogP-0.64
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(cyclopropanecarbonyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione (CID 11521517) is 6-(cyclopropanecarbonyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(cyclopropanecarbonyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(cyclopropanecarbonyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione is O=C(C1CC1)N1CCc2[nH]c(=O)[nH]c(=O)c2C1.
What is the InChIKey of 6-(cyclopropanecarbonyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
The InChIKey is DFQFCSOUBRPSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-9-7-5-14(10(16)6-1-2-6)4-3-8(7)12-11(17)13-9/h6H,1-5H2,(H2,12,13,15,17).
What are the key properties of 6-(cyclopropanecarbonyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione?
6-(cyclopropanecarbonyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione has a molecular weight of 235.24 g/mol, XLogP of -0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11521517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).