2-(1-adamantyl)-N-(oxan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide

C20H27N3O3 — CID 70707834

IUPAC2-(1-adamantyl)-N-(oxan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CCCOC1)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O
InChIInChI=1S/C20H27N3O3/c24-17(22-15-2-1-3-26-11-15)16-10-21-19(23-18(16)25)20-7-12-4-13(8-20)6-14(5-12)9-20/h10,12-15H,1-9,11H2,(H,22,24)(H,21,23,25)
InChIKeyXQZLJIKEIRDUCY-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.15
Rot. Bonds3

About 2-(1-adamantyl)-N-(oxan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide

2-(1-adamantyl)-N-(oxan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70707834) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(oxan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(oxan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70707834
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name2-(1-adamantyl)-N-(oxan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CCCOC1)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O
InChIInChI=1S/C20H27N3O3/c24-17(22-15-2-1-3-26-11-15)16-10-21-19(23-18(16)25)20-7-12-4-13(8-20)6-14(5-12)9-20/h10,12-15H,1-9,11H2,(H,22,24)(H,21,23,25)
InChIKeyXQZLJIKEIRDUCY-UHFFFAOYSA-N
XLogP2.15
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(oxan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(1-adamantyl)-N-(oxan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 70707834) is 2-(1-adamantyl)-N-(oxan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(oxan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(1-adamantyl)-N-(oxan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide is O=C(NC1CCCOC1)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O.
What is the InChIKey of 2-(1-adamantyl)-N-(oxan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is XQZLJIKEIRDUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-17(22-15-2-1-3-26-11-15)16-10-21-19(23-18(16)25)20-7-12-4-13(8-20)6-14(5-12)9-20/h10,12-15H,1-9,11H2,(H,22,24)(H,21,23,25).
What are the key properties of 2-(1-adamantyl)-N-(oxan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-(1-adamantyl)-N-(oxan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(oxan-3-yl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70707834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).