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

C17H25N3O3 — CID 155958921

IUPAC7-(3-cyclohexylbutanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESCC(CC(=O)N1CCc2c([nH]c(=O)[nH]c2=O)C1)C1CCCCC1
InChIInChI=1S/C17H25N3O3/c1-11(12-5-3-2-4-6-12)9-15(21)20-8-7-13-14(10-20)18-17(23)19-16(13)22/h11-12H,2-10H2,1H3,(H2,18,19,22,23)
InChIKeyDAGVJGLBUWECHV-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.55
Rot. Bonds3

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

7-(3-cyclohexylbutanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (PubChem CID 155958921) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 7-(3-cyclohexylbutanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(3-cyclohexylbutanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
PubChem CID155958921
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name7-(3-cyclohexylbutanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
SMILESCC(CC(=O)N1CCc2c([nH]c(=O)[nH]c2=O)C1)C1CCCCC1
InChIInChI=1S/C17H25N3O3/c1-11(12-5-3-2-4-6-12)9-15(21)20-8-7-13-14(10-20)18-17(23)19-16(13)22/h11-12H,2-10H2,1H3,(H2,18,19,22,23)
InChIKeyDAGVJGLBUWECHV-UHFFFAOYSA-N
XLogP1.55
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-cyclohexylbutanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(3-cyclohexylbutanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione (CID 155958921) is 7-(3-cyclohexylbutanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(3-cyclohexylbutanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(3-cyclohexylbutanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is CC(CC(=O)N1CCc2c([nH]c(=O)[nH]c2=O)C1)C1CCCCC1.
What is the InChIKey of 7-(3-cyclohexylbutanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
The InChIKey is DAGVJGLBUWECHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11(12-5-3-2-4-6-12)9-15(21)20-8-7-13-14(10-20)18-17(23)19-16(13)22/h11-12H,2-10H2,1H3,(H2,18,19,22,23).
What are the key properties of 7-(3-cyclohexylbutanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione?
7-(3-cyclohexylbutanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione has a molecular weight of 319.41 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-cyclohexylbutanoyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 155958921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).