2-(1-adamantyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

C15H18N2O3 — CID 62796592

IUPAC2-(1-adamantyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O
InChIInChI=1S/C15H18N2O3/c18-12-11(13(19)20)7-16-14(17-12)15-4-8-1-9(5-15)3-10(2-8)6-15/h7-10H,1-6H2,(H,19,20)(H,16,17,18)
InChIKeyOLUZFMASNFTIOM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.94
Rot. Bonds2

About 2-(1-adamantyl)-6-oxo-1H-pyrimidine-5-carboxylic acid

2-(1-adamantyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 62796592) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(1-adamantyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-adamantyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID62796592
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(1-adamantyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O
InChIInChI=1S/C15H18N2O3/c18-12-11(13(19)20)7-16-14(17-12)15-4-8-1-9(5-15)3-10(2-8)6-15/h7-10H,1-6H2,(H,19,20)(H,16,17,18)
InChIKeyOLUZFMASNFTIOM-UHFFFAOYSA-N
XLogP1.94
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(1-adamantyl)-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 62796592) is 2-(1-adamantyl)-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(1-adamantyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(1-adamantyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is O=C(O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O.
What is the InChIKey of 2-(1-adamantyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is OLUZFMASNFTIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-12-11(13(19)20)7-16-14(17-12)15-4-8-1-9(5-15)3-10(2-8)6-15/h7-10H,1-6H2,(H,19,20)(H,16,17,18).
What are the key properties of 2-(1-adamantyl)-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-(1-adamantyl)-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 62796592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).