4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide

C23H32N4O4 — CID 52912040

IUPAC4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1OC1CCC1
InChIInChI=1S/C23H32N4O4/c28-20(26-19-14-6-13-7-15(19)10-23(29,8-13)9-14)18-11-24-22(25-16-4-5-30-12-16)27-21(18)31-17-2-1-3-17/h11,13-17,19,29H,1-10,12H2,(H,26,28)(H,24,25,27)/t13?,14?,15?,16-,19?,23?/m0/s1
InChIKeyWOGPRQJEAZLPIH-ZHWFDUHRSA-N
MW428.53 g/mol
LogP2.28
Rot. Bonds6

About 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide

4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide (PubChem CID 52912040) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide
PubChem CID52912040
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide
SMILESO=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1OC1CCC1
InChIInChI=1S/C23H32N4O4/c28-20(26-19-14-6-13-7-15(19)10-23(29,8-13)9-14)18-11-24-22(25-16-4-5-30-12-16)27-21(18)31-17-2-1-3-17/h11,13-17,19,29H,1-10,12H2,(H,26,28)(H,24,25,27)/t13?,14?,15?,16-,19?,23?/m0/s1
InChIKeyWOGPRQJEAZLPIH-ZHWFDUHRSA-N
XLogP2.28
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[[(3S)-oxolan-3-yl]amino]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-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide (CID 52912040) is 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide is O=C(NC1C2CC3CC1CC(O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1OC1CCC1.
What is the InChIKey of 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide?
The InChIKey is WOGPRQJEAZLPIH-ZHWFDUHRSA-N. The full InChI is InChI=1S/C23H32N4O4/c28-20(26-19-14-6-13-7-15(19)10-23(29,8-13)9-14)18-11-24-22(25-16-4-5-30-12-16)27-21(18)31-17-2-1-3-17/h11,13-17,19,29H,1-10,12H2,(H,26,28)(H,24,25,27)/t13?,14?,15?,16-,19?,23?/m0/s1.
What are the key properties of 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide?
4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 2.28, 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-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 52912040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).