3-benzyl-5-methyl-6-(4-morpholin-4-ylanilino)-1H-pyrimidine-2,4-dione

C22H24N4O3 — CID 21073992

IUPAC3-benzyl-5-methyl-6-(4-morpholin-4-ylanilino)-1H-pyrimidine-2,4-dione
SMILESCc1c(Nc2ccc(N3CCOCC3)cc2)[nH]c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H24N4O3/c1-16-20(23-18-7-9-19(10-8-18)25-11-13-29-14-12-25)24-22(28)26(21(16)27)15-17-5-3-2-4-6-17/h2-10,23H,11-15H2,1H3,(H,24,28)
InChIKeyWEMXPRXSFGFBJP-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.47
Rot. Bonds5

About 3-benzyl-5-methyl-6-(4-morpholin-4-ylanilino)-1H-pyrimidine-2,4-dione

3-benzyl-5-methyl-6-(4-morpholin-4-ylanilino)-1H-pyrimidine-2,4-dione (PubChem CID 21073992) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-benzyl-5-methyl-6-(4-morpholin-4-ylanilino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-methyl-6-(4-morpholin-4-ylanilino)-1H-pyrimidine-2,4-dione
PubChem CID21073992
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-benzyl-5-methyl-6-(4-morpholin-4-ylanilino)-1H-pyrimidine-2,4-dione
SMILESCc1c(Nc2ccc(N3CCOCC3)cc2)[nH]c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C22H24N4O3/c1-16-20(23-18-7-9-19(10-8-18)25-11-13-29-14-12-25)24-22(28)26(21(16)27)15-17-5-3-2-4-6-17/h2-10,23H,11-15H2,1H3,(H,24,28)
InChIKeyWEMXPRXSFGFBJP-UHFFFAOYSA-N
XLogP2.47
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.47
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

2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55387278
4-morpholin-4-yl-N-phenylaniline
CID 159018746
4-(4-benzylphenyl)morpholine
CID 11514364
1-benzyl-3-(4-methylphenyl)-4-[4-(4-methylpiperidin-1-yl)anilino]pyrrole-2,5-dione
CID 110600616
(3R)-1-benzyl-N-(4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2506973
3-[(4-methylphenyl)methyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one
CID 4094660
(5Z)-1-benzyl-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2293133
N-(4-morpholin-4-ylphenyl)-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 155945474
1-benzyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-oxopyridine-3-carboxamide
CID 48664810
1-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 4660277
1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide
CID 30771595
1,7-dibenzyl-3-methyl-8-morpholin-4-ylpurine-2,6-dione
CID 1307880

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-methyl-6-(4-morpholin-4-ylanilino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-benzyl-5-methyl-6-(4-morpholin-4-ylanilino)-1H-pyrimidine-2,4-dione (CID 21073992) is 3-benzyl-5-methyl-6-(4-morpholin-4-ylanilino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-methyl-6-(4-morpholin-4-ylanilino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-methyl-6-(4-morpholin-4-ylanilino)-1H-pyrimidine-2,4-dione is Cc1c(Nc2ccc(N3CCOCC3)cc2)[nH]c(=O)n(Cc2ccccc2)c1=O.
What is the InChIKey of 3-benzyl-5-methyl-6-(4-morpholin-4-ylanilino)-1H-pyrimidine-2,4-dione?
The InChIKey is WEMXPRXSFGFBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-20(23-18-7-9-19(10-8-18)25-11-13-29-14-12-25)24-22(28)26(21(16)27)15-17-5-3-2-4-6-17/h2-10,23H,11-15H2,1H3,(H,24,28).
What are the key properties of 3-benzyl-5-methyl-6-(4-morpholin-4-ylanilino)-1H-pyrimidine-2,4-dione?
3-benzyl-5-methyl-6-(4-morpholin-4-ylanilino)-1H-pyrimidine-2,4-dione has a molecular weight of 392.46 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-methyl-6-(4-morpholin-4-ylanilino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 21073992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).