4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide

C23H34N4O4 — CID 52912092

IUPAC4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide
SMILESCC(C)(CO)Nc1ncc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OC2CCC2)n1
InChIInChI=1S/C23H34N4O4/c1-22(2,12-28)27-21-24-11-17(20(26-21)31-16-4-3-5-16)19(29)25-18-14-6-13-7-15(18)10-23(30,8-13)9-14/h11,13-16,18,28,30H,3-10,12H2,1-2H3,(H,25,29)(H,24,26,27)
InChIKeyFVDARAUNAZZETI-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.26
Rot. Bonds7

About 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide

4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide (PubChem CID 52912092) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide
PubChem CID52912092
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Name4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide
SMILESCC(C)(CO)Nc1ncc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OC2CCC2)n1
InChIInChI=1S/C23H34N4O4/c1-22(2,12-28)27-21-24-11-17(20(26-21)31-16-4-3-5-16)19(29)25-18-14-6-13-7-15(18)10-23(30,8-13)9-14/h11,13-16,18,28,30H,3-10,12H2,1-2H3,(H,25,29)(H,24,26,27)
InChIKeyFVDARAUNAZZETI-UHFFFAOYSA-N
XLogP2.26
TPSA116.60 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide?
The IUPAC name of 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide (CID 52912092) is 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide is CC(C)(CO)Nc1ncc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(OC2CCC2)n1.
What is the InChIKey of 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide?
The InChIKey is FVDARAUNAZZETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-22(2,12-28)27-21-24-11-17(20(26-21)31-16-4-3-5-16)19(29)25-18-14-6-13-7-15(18)10-23(30,8-13)9-14/h11,13-16,18,28,30H,3-10,12H2,1-2H3,(H,25,29)(H,24,26,27).
What are the key properties of 4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide?
4-cyclobutyloxy-N-(5-hydroxy-2-adamantyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 2.26, 7 rotatable bonds, 4 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-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 52912092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).