N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide

C11H16N4O3 — CID 110849732

IUPACN-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c16-10(9-7-12-8-14-11(9)17)13-1-2-15-3-5-18-6-4-15/h7-8H,1-6H2,(H,13,16)(H,12,14,17)
InChIKeyRMEOAHYVYIOGHL-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.17
Rot. Bonds4

About N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide

N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110849732) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110849732
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cnc[nH]c1=O
InChIInChI=1S/C11H16N4O3/c16-10(9-7-12-8-14-11(9)17)13-1-2-15-3-5-18-6-4-15/h7-8H,1-6H2,(H,13,16)(H,12,14,17)
InChIKeyRMEOAHYVYIOGHL-UHFFFAOYSA-N
XLogP-1.17
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
2,2-difluoro-3-morpholin-4-yl-3-oxo-N-[2-(6-oxopyrimidin-1-yl)ethyl]propanamide
CID 126832928
2-(dimethylamino)-5-(morpholine-4-carbonyl)-1H-pyrimidin-6-one
CID 71220711
2-methyl-N-(2-morpholinoethyl)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 71709448
N-{3-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]propyl}-4-hydroxy-2-methylpyrimidine-5-carboxamide
CID 72904643
2-cyclopropyl-N-ethyl-N-(2-morpholin-4-ylethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74241645
5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82507534
3-Methyl-5-(piperazine-1-carbonyl)pyrimidin-4-one
CID 83890531
N-(5-morpholin-4-ylpentyl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91775144
2-isopropyl-5-{[4-(2-methoxyethyl)piperazin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 91839408

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 110849732) is N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide is O=C(NCCN1CCOCC1)c1cnc[nH]c1=O.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is RMEOAHYVYIOGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-10(9-7-12-8-14-11(9)17)13-1-2-15-3-5-18-6-4-15/h7-8H,1-6H2,(H,13,16)(H,12,14,17).
What are the key properties of N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide?
N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 252.27 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110849732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).