3-methyl-N-(4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C16H18N4O4 — CID 71778357

IUPAC3-methyl-N-(4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1=O
InChIInChI=1S/C16H18N4O4/c1-19-15(22)13(10-17-16(19)23)14(21)18-11-2-4-12(5-3-11)20-6-8-24-9-7-20/h2-5,10H,6-9H2,1H3,(H,17,23)(H,18,21)
InChIKeyXQSUQUTYSLHRCC-UHFFFAOYSA-N
MW330.34 g/mol
LogP0.16
Rot. Bonds3

About 3-methyl-N-(4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

3-methyl-N-(4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 71778357) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 3-methyl-N-(4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID71778357
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name3-methyl-N-(4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCn1c(=O)[nH]cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1=O
InChIInChI=1S/C16H18N4O4/c1-19-15(22)13(10-17-16(19)23)14(21)18-11-2-4-12(5-3-11)20-6-8-24-9-7-20/h2-5,10H,6-9H2,1H3,(H,17,23)(H,18,21)
InChIKeyXQSUQUTYSLHRCC-UHFFFAOYSA-N
XLogP0.16
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110862549
2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
CID 1181771
2-fluoro-N-(4-morpholin-4-ylphenyl)benzamide
CID 781635
2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
CID 100519885
4-acetyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 803418
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
2-methyl-N-(4-morpholin-4-ylphenyl)-2-(2-oxoazetidin-1-yl)propanamide
CID 1495338
methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 7137362
N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 3473028
2,3-dimethoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269457
5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 8961115
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-methyl-N-(4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 71778357) is 3-methyl-N-(4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-methyl-N-(4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-methyl-N-(4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cn1c(=O)[nH]cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1=O.
What is the InChIKey of 3-methyl-N-(4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is XQSUQUTYSLHRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-19-15(22)13(10-17-16(19)23)14(21)18-11-2-4-12(5-3-11)20-6-8-24-9-7-20/h2-5,10H,6-9H2,1H3,(H,17,23)(H,18,21).
What are the key properties of 3-methyl-N-(4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
3-methyl-N-(4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 71778357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).