2-cyclohexylimidazo[1,5-c]pyrimidine-1,3,5,7-tetrone

C12H13N3O4 — CID 70521630

IUPAC2-cyclohexylimidazo[1,5-c]pyrimidine-1,3,5,7-tetrone
SMILESO=C1c2cc(=O)[nH]c(=O)n2C(=O)N1C1CCCCC1
InChIInChI=1S/C12H13N3O4/c16-9-6-8-10(17)14(7-4-2-1-3-5-7)12(19)15(8)11(18)13-9/h6-7H,1-5H2,(H,13,16,18)
InChIKeyJYJNZMRRQIAHOJ-UHFFFAOYSA-N
MW263.25 g/mol
LogP0.29
Rot. Bonds1

About 2-cyclohexylimidazo[1,5-c]pyrimidine-1,3,5,7-tetrone

2-cyclohexylimidazo[1,5-c]pyrimidine-1,3,5,7-tetrone (PubChem CID 70521630) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is 2-cyclohexylimidazo[1,5-c]pyrimidine-1,3,5,7-tetrone.

Molecular Properties

Compound Name2-cyclohexylimidazo[1,5-c]pyrimidine-1,3,5,7-tetrone
PubChem CID70521630
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name2-cyclohexylimidazo[1,5-c]pyrimidine-1,3,5,7-tetrone
SMILESO=C1c2cc(=O)[nH]c(=O)n2C(=O)N1C1CCCCC1
InChIInChI=1S/C12H13N3O4/c16-9-6-8-10(17)14(7-4-2-1-3-5-7)12(19)15(8)11(18)13-9/h6-7H,1-5H2,(H,13,16,18)
InChIKeyJYJNZMRRQIAHOJ-UHFFFAOYSA-N
XLogP0.29
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylimidazo[1,5-c]pyrimidine-1,3,5,7-tetrone?
The IUPAC name of 2-cyclohexylimidazo[1,5-c]pyrimidine-1,3,5,7-tetrone (CID 70521630) is 2-cyclohexylimidazo[1,5-c]pyrimidine-1,3,5,7-tetrone.
What is the SMILES notation for 2-cyclohexylimidazo[1,5-c]pyrimidine-1,3,5,7-tetrone?
The canonical SMILES for 2-cyclohexylimidazo[1,5-c]pyrimidine-1,3,5,7-tetrone is O=C1c2cc(=O)[nH]c(=O)n2C(=O)N1C1CCCCC1.
What is the InChIKey of 2-cyclohexylimidazo[1,5-c]pyrimidine-1,3,5,7-tetrone?
The InChIKey is JYJNZMRRQIAHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4/c16-9-6-8-10(17)14(7-4-2-1-3-5-7)12(19)15(8)11(18)13-9/h6-7H,1-5H2,(H,13,16,18).
What are the key properties of 2-cyclohexylimidazo[1,5-c]pyrimidine-1,3,5,7-tetrone?
2-cyclohexylimidazo[1,5-c]pyrimidine-1,3,5,7-tetrone has a molecular weight of 263.25 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylimidazo[1,5-c]pyrimidine-1,3,5,7-tetrone is sourced from PubChem (CID 70521630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).