4-[1-(2,6-dichlorophenyl)ethyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one

C25H28Cl2N4O2 — CID 137175142

IUPAC4-[1-(2,6-dichlorophenyl)ethyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one
SMILESCc1c(C(C)c2c(Cl)cccc2Cl)nc(N(C)Cc2ccc(N3CCOCC3)cc2)[nH]c1=O
InChIInChI=1S/C25H28Cl2N4O2/c1-16(22-20(26)5-4-6-21(22)27)23-17(2)24(32)29-25(28-23)30(3)15-18-7-9-19(10-8-18)31-11-13-33-14-12-31/h4-10,16H,11-15H2,1-3H3,(H,28,29,32)
InChIKeyGTYCFHLVWIPWGH-UHFFFAOYSA-N
MW487.43 g/mol
LogP5.01
Rot. Bonds6

About 4-[1-(2,6-dichlorophenyl)ethyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one

4-[1-(2,6-dichlorophenyl)ethyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one (PubChem CID 137175142) has the molecular formula C25H28Cl2N4O2 and a molecular weight of 487.43 g/mol. Its IUPAC name is 4-[1-(2,6-dichlorophenyl)ethyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(2,6-dichlorophenyl)ethyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one
PubChem CID137175142
Molecular FormulaC25H28Cl2N4O2
Molecular Weight487.43 g/mol
Exact Mass486.16
IUPAC Name4-[1-(2,6-dichlorophenyl)ethyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one
SMILESCc1c(C(C)c2c(Cl)cccc2Cl)nc(N(C)Cc2ccc(N3CCOCC3)cc2)[nH]c1=O
InChIInChI=1S/C25H28Cl2N4O2/c1-16(22-20(26)5-4-6-21(22)27)23-17(2)24(32)29-25(28-23)30(3)15-18-7-9-19(10-8-18)31-11-13-33-14-12-31/h4-10,16H,11-15H2,1-3H3,(H,28,29,32)
InChIKeyGTYCFHLVWIPWGH-UHFFFAOYSA-N
XLogP5.01
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 4-[1-(2,6-dichlorophenyl)ethyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-dichlorophenyl)ethyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(2,6-dichlorophenyl)ethyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one (CID 137175142) is 4-[1-(2,6-dichlorophenyl)ethyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(2,6-dichlorophenyl)ethyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(2,6-dichlorophenyl)ethyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one is Cc1c(C(C)c2c(Cl)cccc2Cl)nc(N(C)Cc2ccc(N3CCOCC3)cc2)[nH]c1=O.
What is the InChIKey of 4-[1-(2,6-dichlorophenyl)ethyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one?
The InChIKey is GTYCFHLVWIPWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2N4O2/c1-16(22-20(26)5-4-6-21(22)27)23-17(2)24(32)29-25(28-23)30(3)15-18-7-9-19(10-8-18)31-11-13-33-14-12-31/h4-10,16H,11-15H2,1-3H3,(H,28,29,32).
What are the key properties of 4-[1-(2,6-dichlorophenyl)ethyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one?
4-[1-(2,6-dichlorophenyl)ethyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one has a molecular weight of 487.43 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-dichlorophenyl)ethyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137175142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).