4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-(oxan-4-ylamino)pyrimidine-5-carboxamide

C24H34N4O4 — CID 52912094

IUPAC4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnc(NC2CCOCC2)nc1OC1CCC1
InChIInChI=1S/C24H34N4O4/c29-21(27-20-15-8-14-9-16(20)12-24(30,10-14)11-15)19-13-25-23(26-17-4-6-31-7-5-17)28-22(19)32-18-2-1-3-18/h13-18,20,30H,1-12H2,(H,27,29)(H,25,26,28)
InChIKeyOQYNPGFEABZSEN-UHFFFAOYSA-N
MW442.56 g/mol
LogP2.67
Rot. Bonds6

About 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-(oxan-4-ylamino)pyrimidine-5-carboxamide

4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-(oxan-4-ylamino)pyrimidine-5-carboxamide (PubChem CID 52912094) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-(oxan-4-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
PubChem CID52912094
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-(oxan-4-ylamino)pyrimidine-5-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnc(NC2CCOCC2)nc1OC1CCC1
InChIInChI=1S/C24H34N4O4/c29-21(27-20-15-8-14-9-16(20)12-24(30,10-14)11-15)19-13-25-23(26-17-4-6-31-7-5-17)28-22(19)32-18-2-1-3-18/h13-18,20,30H,1-12H2,(H,27,29)(H,25,26,28)
InChIKeyOQYNPGFEABZSEN-UHFFFAOYSA-N
XLogP2.67
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-(oxan-4-ylamino)pyrimidine-5-carboxamide 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 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-(oxan-4-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-(oxan-4-ylamino)pyrimidine-5-carboxamide (CID 52912094) is 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-(oxan-4-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-(oxan-4-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-(oxan-4-ylamino)pyrimidine-5-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnc(NC2CCOCC2)nc1OC1CCC1.
What is the InChIKey of 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-(oxan-4-ylamino)pyrimidine-5-carboxamide?
The InChIKey is OQYNPGFEABZSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c29-21(27-20-15-8-14-9-16(20)12-24(30,10-14)11-15)19-13-25-23(26-17-4-6-31-7-5-17)28-22(19)32-18-2-1-3-18/h13-18,20,30H,1-12H2,(H,27,29)(H,25,26,28).
What are the key properties of 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-(oxan-4-ylamino)pyrimidine-5-carboxamide?
4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-(oxan-4-ylamino)pyrimidine-5-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-(oxan-4-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 52912094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).