N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2-morpholin-4-ylbenzamide

C16H18N4O4 — CID 86286995

IUPACN-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2-morpholin-4-ylbenzamide
SMILESO=C(NCc1c[nH]c(=O)[nH]c1=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C16H18N4O4/c21-14-11(10-18-16(23)19-14)9-17-15(22)12-3-1-2-4-13(12)20-5-7-24-8-6-20/h1-4,10H,5-9H2,(H,17,22)(H2,18,19,21,23)
InChIKeyQWDWCOUKNCHISW-UHFFFAOYSA-N
MW330.34 g/mol
LogP-0.17
Rot. Bonds4

About N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2-morpholin-4-ylbenzamide

N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2-morpholin-4-ylbenzamide (PubChem CID 86286995) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2-morpholin-4-ylbenzamide
PubChem CID86286995
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2-morpholin-4-ylbenzamide
SMILESO=C(NCc1c[nH]c(=O)[nH]c1=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C16H18N4O4/c21-14-11(10-18-16(23)19-14)9-17-15(22)12-3-1-2-4-13(12)20-5-7-24-8-6-20/h1-4,10H,5-9H2,(H,17,22)(H2,18,19,21,23)
InChIKeyQWDWCOUKNCHISW-UHFFFAOYSA-N
XLogP-0.17
TPSA107.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-ylbenzohydrazide
CID 7148386
N-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide
CID 131920003
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
N-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-4-ylbenzamide
CID 131925589
N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 136540076
N-[[2-(3-methylbutoxy)phenyl]methyl]-2-morpholin-4-ylbenzamide
CID 60621982
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide
CID 120827445
2-morpholin-4-yl-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 77085484
2-morpholin-4-yl-N-[[(1R,2S)-2-phenylcyclopropyl]methyl]benzamide
CID 97081663
N-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136579516
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride
CID 120827444
N-(2-morpholin-4-ylethyl)-2-pyrrolidin-1-ylbenzamide
CID 168512683

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2-morpholin-4-ylbenzamide (CID 86286995) is N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2-morpholin-4-ylbenzamide is O=C(NCc1c[nH]c(=O)[nH]c1=O)c1ccccc1N1CCOCC1.
What is the InChIKey of N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2-morpholin-4-ylbenzamide?
The InChIKey is QWDWCOUKNCHISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c21-14-11(10-18-16(23)19-14)9-17-15(22)12-3-1-2-4-13(12)20-5-7-24-8-6-20/h1-4,10H,5-9H2,(H,17,22)(H2,18,19,21,23).
What are the key properties of N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2-morpholin-4-ylbenzamide?
N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2-morpholin-4-ylbenzamide has a molecular weight of 330.34 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dioxo-1H-pyrimidin-5-yl)methyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 86286995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).