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

C24H26Cl2N4O2 — CID 137175227

IUPAC4-[(2,6-dichlorophenyl)methyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one
SMILESCc1c(Cc2c(Cl)cccc2Cl)nc(N(C)Cc2ccc(N3CCOCC3)cc2)[nH]c1=O
InChIInChI=1S/C24H26Cl2N4O2/c1-16-22(14-19-20(25)4-3-5-21(19)26)27-24(28-23(16)31)29(2)15-17-6-8-18(9-7-17)30-10-12-32-13-11-30/h3-9H,10-15H2,1-2H3,(H,27,28,31)
InChIKeyUBCUBPKNCZZRLM-UHFFFAOYSA-N
MW473.40 g/mol
LogP4.45
Rot. Bonds6

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

4-[(2,6-dichlorophenyl)methyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one (PubChem CID 137175227) has the molecular formula C24H26Cl2N4O2 and a molecular weight of 473.40 g/mol. Its IUPAC name is 4-[(2,6-dichlorophenyl)methyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,6-dichlorophenyl)methyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one
PubChem CID137175227
Molecular FormulaC24H26Cl2N4O2
Molecular Weight473.40 g/mol
Exact Mass472.14
IUPAC Name4-[(2,6-dichlorophenyl)methyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one
SMILESCc1c(Cc2c(Cl)cccc2Cl)nc(N(C)Cc2ccc(N3CCOCC3)cc2)[nH]c1=O
InChIInChI=1S/C24H26Cl2N4O2/c1-16-22(14-19-20(25)4-3-5-21(19)26)27-24(28-23(16)31)29(2)15-17-6-8-18(9-7-17)30-10-12-32-13-11-30/h3-9H,10-15H2,1-2H3,(H,27,28,31)
InChIKeyUBCUBPKNCZZRLM-UHFFFAOYSA-N
XLogP4.45
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.40
LogP ≤ 54.45
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorophenyl)methyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,6-dichlorophenyl)methyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one (CID 137175227) is 4-[(2,6-dichlorophenyl)methyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,6-dichlorophenyl)methyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,6-dichlorophenyl)methyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one is Cc1c(Cc2c(Cl)cccc2Cl)nc(N(C)Cc2ccc(N3CCOCC3)cc2)[nH]c1=O.
What is the InChIKey of 4-[(2,6-dichlorophenyl)methyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one?
The InChIKey is UBCUBPKNCZZRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O2/c1-16-22(14-19-20(25)4-3-5-21(19)26)27-24(28-23(16)31)29(2)15-17-6-8-18(9-7-17)30-10-12-32-13-11-30/h3-9H,10-15H2,1-2H3,(H,27,28,31).
What are the key properties of 4-[(2,6-dichlorophenyl)methyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one?
4-[(2,6-dichlorophenyl)methyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one has a molecular weight of 473.40 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorophenyl)methyl]-5-methyl-2-[methyl-[(4-morpholin-4-ylphenyl)methyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137175227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).