N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

C15H24N4O2 — CID 103861720

IUPACN-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCC(CO)CCCNC(=O)C1CCCN1c1ncccn1
InChIInChI=1S/C15H24N4O2/c1-12(11-20)5-2-7-16-14(21)13-6-3-10-19(13)15-17-8-4-9-18-15/h4,8-9,12-13,20H,2-3,5-7,10-11H2,1H3,(H,16,21)
InChIKeyXWVJYGMJUMJGRS-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.97
Rot. Bonds7

About N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (PubChem CID 103861720) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
PubChem CID103861720
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCC(CO)CCCNC(=O)C1CCCN1c1ncccn1
InChIInChI=1S/C15H24N4O2/c1-12(11-20)5-2-7-16-14(21)13-6-3-10-19(13)15-17-8-4-9-18-15/h4,8-9,12-13,20H,2-3,5-7,10-11H2,1H3,(H,16,21)
InChIKeyXWVJYGMJUMJGRS-UHFFFAOYSA-N
XLogP0.97
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (CID 103861720) is N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is CC(CO)CCCNC(=O)C1CCCN1c1ncccn1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is XWVJYGMJUMJGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(11-20)5-2-7-16-14(21)13-6-3-10-19(13)15-17-8-4-9-18-15/h4,8-9,12-13,20H,2-3,5-7,10-11H2,1H3,(H,16,21).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 103861720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).