2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide

C15H20N4O2 — CID 87718111

IUPAC2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C15H20N4O2/c20-13(19-21)12-7-16-14(17-8-12)18-15-4-9-1-10(5-15)3-11(2-9)6-15/h7-11,21H,1-6H2,(H,19,20)(H,16,17,18)
InChIKeyKUKHDRUNPIWSKM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.98
Rot. Bonds3

About 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide

2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide (PubChem CID 87718111) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide
PubChem CID87718111
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC23CC4CC(CC(C4)C2)C3)nc1
InChIInChI=1S/C15H20N4O2/c20-13(19-21)12-7-16-14(17-8-12)18-15-4-9-1-10(5-15)3-11(2-9)6-15/h7-11,21H,1-6H2,(H,19,20)(H,16,17,18)
InChIKeyKUKHDRUNPIWSKM-UHFFFAOYSA-N
XLogP1.98
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide (CID 87718111) is 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NC23CC4CC(CC(C4)C2)C3)nc1.
What is the InChIKey of 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is KUKHDRUNPIWSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-13(19-21)12-7-16-14(17-8-12)18-15-4-9-1-10(5-15)3-11(2-9)6-15/h7-11,21H,1-6H2,(H,19,20)(H,16,17,18).
What are the key properties of 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide?
2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylamino)-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 87718111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).