4-N-(3-cyclohexyloxypropyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide

C23H27N5O3 — CID 25330819

IUPAC4-N-(3-cyclohexyloxypropyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESNC(=O)c1ncn2c(C(=O)NCCCOC3CCCCC3)cc(-c3ccccc3)nc12
InChIInChI=1S/C23H27N5O3/c24-21(29)20-22-27-18(16-8-3-1-4-9-16)14-19(28(22)15-26-20)23(30)25-12-7-13-31-17-10-5-2-6-11-17/h1,3-4,8-9,14-15,17H,2,5-7,10-13H2,(H2,24,29)(H,25,30)
InChIKeyUTJDUPWLKFHXIV-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.96
Rot. Bonds8

About 4-N-(3-cyclohexyloxypropyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide

4-N-(3-cyclohexyloxypropyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide (PubChem CID 25330819) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-N-(3-cyclohexyloxypropyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-cyclohexyloxypropyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
PubChem CID25330819
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC Name4-N-(3-cyclohexyloxypropyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide
SMILESNC(=O)c1ncn2c(C(=O)NCCCOC3CCCCC3)cc(-c3ccccc3)nc12
InChIInChI=1S/C23H27N5O3/c24-21(29)20-22-27-18(16-8-3-1-4-9-16)14-19(28(22)15-26-20)23(30)25-12-7-13-31-17-10-5-2-6-11-17/h1,3-4,8-9,14-15,17H,2,5-7,10-13H2,(H2,24,29)(H,25,30)
InChIKeyUTJDUPWLKFHXIV-UHFFFAOYSA-N
XLogP2.96
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-cyclohexyloxypropyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The IUPAC name of 4-N-(3-cyclohexyloxypropyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide (CID 25330819) is 4-N-(3-cyclohexyloxypropyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide.
What is the SMILES notation for 4-N-(3-cyclohexyloxypropyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The canonical SMILES for 4-N-(3-cyclohexyloxypropyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide is NC(=O)c1ncn2c(C(=O)NCCCOC3CCCCC3)cc(-c3ccccc3)nc12.
What is the InChIKey of 4-N-(3-cyclohexyloxypropyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
The InChIKey is UTJDUPWLKFHXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c24-21(29)20-22-27-18(16-8-3-1-4-9-16)14-19(28(22)15-26-20)23(30)25-12-7-13-31-17-10-5-2-6-11-17/h1,3-4,8-9,14-15,17H,2,5-7,10-13H2,(H2,24,29)(H,25,30).
What are the key properties of 4-N-(3-cyclohexyloxypropyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide?
4-N-(3-cyclohexyloxypropyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-cyclohexyloxypropyl)-2-phenylimidazo[1,5-a]pyrimidine-4,8-dicarboxamide is sourced from PubChem (CID 25330819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).