6-[(3,4-dichlorophenyl)methylamino]-3-[2-(2-morpholin-4-ylethoxy)ethyl]-1H-pyrimidine-2,4-dione

C19H24Cl2N4O4 — CID 10195006

IUPAC6-[(3,4-dichlorophenyl)methylamino]-3-[2-(2-morpholin-4-ylethoxy)ethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NCc2ccc(Cl)c(Cl)c2)[nH]c(=O)n1CCOCCN1CCOCC1
InChIInChI=1S/C19H24Cl2N4O4/c20-15-2-1-14(11-16(15)21)13-22-17-12-18(26)25(19(27)23-17)6-10-29-9-5-24-3-7-28-8-4-24/h1-2,11-12,22H,3-10,13H2,(H,23,27)
InChIKeyJJTTXTDWSAFSIG-UHFFFAOYSA-N
MW443.33 g/mol
LogP1.80
Rot. Bonds9

About 6-[(3,4-dichlorophenyl)methylamino]-3-[2-(2-morpholin-4-ylethoxy)ethyl]-1H-pyrimidine-2,4-dione

6-[(3,4-dichlorophenyl)methylamino]-3-[2-(2-morpholin-4-ylethoxy)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 10195006) has the molecular formula C19H24Cl2N4O4 and a molecular weight of 443.33 g/mol. Its IUPAC name is 6-[(3,4-dichlorophenyl)methylamino]-3-[2-(2-morpholin-4-ylethoxy)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3,4-dichlorophenyl)methylamino]-3-[2-(2-morpholin-4-ylethoxy)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID10195006
Molecular FormulaC19H24Cl2N4O4
Molecular Weight443.33 g/mol
Exact Mass442.12
IUPAC Name6-[(3,4-dichlorophenyl)methylamino]-3-[2-(2-morpholin-4-ylethoxy)ethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NCc2ccc(Cl)c(Cl)c2)[nH]c(=O)n1CCOCCN1CCOCC1
InChIInChI=1S/C19H24Cl2N4O4/c20-15-2-1-14(11-16(15)21)13-22-17-12-18(26)25(19(27)23-17)6-10-29-9-5-24-3-7-28-8-4-24/h1-2,11-12,22H,3-10,13H2,(H,23,27)
InChIKeyJJTTXTDWSAFSIG-UHFFFAOYSA-N
XLogP1.80
TPSA88.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dichlorobenzyl)-3-(morpholinocarbonyl)-2(1H)-pyridinone
CID 1478456
6-(3,4-Dichloro-benzylamino)-3-(4-methoxy-butyl)-1H-pyrimidine-2,4-dione
CID 11057774
1-[(3,4-Dichlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 57391364
1-(2,3-Dichlorobenzyl)-7-morpholinoimidazo[1,2-a]pyrimidin-5(1H)-one
CID 57401865
2-[(2,3-dichlorophenyl)methylamino]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 136229138
2-[(3-chlorophenyl)methylamino]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 136229139
1-(3,4-dichlorobenzyl)-5-(morpholinocarbonyl)-2(1H)-pyridinone
CID 3830299
1-[1-[(3,4-Dichlorophenyl)methyl]piperidin-4-yl]-5-methylpyrimidine-2,4-dione
CID 137638303
1-[[4-[(3,4-Dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(3,4-difluorophenyl)methyl]urea
CID 10160677
1-[[4-[(3,4-Dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(4-fluorophenyl)methyl]urea
CID 10202686
1-[[4-[(3,4-Dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(2,4-difluorophenyl)methyl]urea
CID 10203865
1-[[4-[(3,4-Dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-[(3-fluorophenyl)methyl]urea
CID 17984661

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-dichlorophenyl)methylamino]-3-[2-(2-morpholin-4-ylethoxy)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(3,4-dichlorophenyl)methylamino]-3-[2-(2-morpholin-4-ylethoxy)ethyl]-1H-pyrimidine-2,4-dione (CID 10195006) is 6-[(3,4-dichlorophenyl)methylamino]-3-[2-(2-morpholin-4-ylethoxy)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3,4-dichlorophenyl)methylamino]-3-[2-(2-morpholin-4-ylethoxy)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3,4-dichlorophenyl)methylamino]-3-[2-(2-morpholin-4-ylethoxy)ethyl]-1H-pyrimidine-2,4-dione is O=c1cc(NCc2ccc(Cl)c(Cl)c2)[nH]c(=O)n1CCOCCN1CCOCC1.
What is the InChIKey of 6-[(3,4-dichlorophenyl)methylamino]-3-[2-(2-morpholin-4-ylethoxy)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is JJTTXTDWSAFSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O4/c20-15-2-1-14(11-16(15)21)13-22-17-12-18(26)25(19(27)23-17)6-10-29-9-5-24-3-7-28-8-4-24/h1-2,11-12,22H,3-10,13H2,(H,23,27).
What are the key properties of 6-[(3,4-dichlorophenyl)methylamino]-3-[2-(2-morpholin-4-ylethoxy)ethyl]-1H-pyrimidine-2,4-dione?
6-[(3,4-dichlorophenyl)methylamino]-3-[2-(2-morpholin-4-ylethoxy)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 443.33 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,4-dichlorophenyl)methylamino]-3-[2-(2-morpholin-4-ylethoxy)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10195006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).