N-(5-morpholin-4-ylpentyl)-6-oxo-1H-pyrimidine-5-carboxamide

C14H22N4O3 — CID 91775144

IUPACN-(5-morpholin-4-ylpentyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCCCCN1CCOCC1)c1cnc[nH]c1=O
InChIInChI=1S/C14H22N4O3/c19-13(12-10-15-11-17-14(12)20)16-4-2-1-3-5-18-6-8-21-9-7-18/h10-11H,1-9H2,(H,16,19)(H,15,17,20)
InChIKeyKOSBAGMGSVOEPO-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.00
Rot. Bonds7

About N-(5-morpholin-4-ylpentyl)-6-oxo-1H-pyrimidine-5-carboxamide

N-(5-morpholin-4-ylpentyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 91775144) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(5-morpholin-4-ylpentyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-morpholin-4-ylpentyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID91775144
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC NameN-(5-morpholin-4-ylpentyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCCCCN1CCOCC1)c1cnc[nH]c1=O
InChIInChI=1S/C14H22N4O3/c19-13(12-10-15-11-17-14(12)20)16-4-2-1-3-5-18-6-8-21-9-7-18/h10-11H,1-9H2,(H,16,19)(H,15,17,20)
InChIKeyKOSBAGMGSVOEPO-UHFFFAOYSA-N
XLogP0.00
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.00
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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Related Compounds

2-Tert-butyl-4-hydroxy-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-YL)pyrimidine-5-carboxamide
CID 70725285
5-{[2-(trifluoromethyl)morpholin-4-yl]carbonyl}pyrimidin-4(3H)-one
CID 56876065
5-[(2S)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95555739
5-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 95555740
5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 18935581
2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
CID 71220711
N-{3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propyl}-4-hydroxy-2-methylpyrimidine-5-carboxamide
CID 72904643
2-methyl-N-{3-[(1-methylpiperidin-4-yl)oxy]propyl}-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91765945
6-oxo-N-(1-propylpiperidin-4-yl)-1,6-dihydropyrimidine-5-carboxamide
CID 91769883
N-(1-cyclopentylpiperidin-4-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91771766
6-oxo-N-[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]-1,6-dihydropyrimidine-5-carboxamide
CID 91796125
N-(2-methoxyethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 110849278

Frequently Asked Questions

What is the IUPAC name of N-(5-morpholin-4-ylpentyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(5-morpholin-4-ylpentyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 91775144) is N-(5-morpholin-4-ylpentyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-morpholin-4-ylpentyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(5-morpholin-4-ylpentyl)-6-oxo-1H-pyrimidine-5-carboxamide is O=C(NCCCCCN1CCOCC1)c1cnc[nH]c1=O.
What is the InChIKey of N-(5-morpholin-4-ylpentyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is KOSBAGMGSVOEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c19-13(12-10-15-11-17-14(12)20)16-4-2-1-3-5-18-6-8-21-9-7-18/h10-11H,1-9H2,(H,16,19)(H,15,17,20).
What are the key properties of N-(5-morpholin-4-ylpentyl)-6-oxo-1H-pyrimidine-5-carboxamide?
N-(5-morpholin-4-ylpentyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-morpholin-4-ylpentyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91775144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).