N-[(4-chlorophenyl)methyl]-5-hydroxy-2-[methoxy(phenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide

C20H18ClN3O4 — CID 135601983

IUPACN-[(4-chlorophenyl)methyl]-5-hydroxy-2-[methoxy(phenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOC(c1ccccc1)c1nc(C(=O)NCc2ccc(Cl)cc2)c(O)c(=O)[nH]1
InChIInChI=1S/C20H18ClN3O4/c1-28-17(13-5-3-2-4-6-13)18-23-15(16(25)20(27)24-18)19(26)22-11-12-7-9-14(21)10-8-12/h2-10,17,25H,11H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyHFQVTLUBVWQWAU-UHFFFAOYSA-N
MW399.83 g/mol
LogP2.79
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-5-hydroxy-2-[methoxy(phenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide

N-[(4-chlorophenyl)methyl]-5-hydroxy-2-[methoxy(phenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 135601983) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-hydroxy-2-[methoxy(phenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-hydroxy-2-[methoxy(phenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID135601983
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC NameN-[(4-chlorophenyl)methyl]-5-hydroxy-2-[methoxy(phenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCOC(c1ccccc1)c1nc(C(=O)NCc2ccc(Cl)cc2)c(O)c(=O)[nH]1
InChIInChI=1S/C20H18ClN3O4/c1-28-17(13-5-3-2-4-6-13)18-23-15(16(25)20(27)24-18)19(26)22-11-12-7-9-14(21)10-8-12/h2-10,17,25H,11H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyHFQVTLUBVWQWAU-UHFFFAOYSA-N
XLogP2.79
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-hydroxy-2-[methoxy(phenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-hydroxy-2-[methoxy(phenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 135601983) is N-[(4-chlorophenyl)methyl]-5-hydroxy-2-[methoxy(phenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-hydroxy-2-[methoxy(phenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-hydroxy-2-[methoxy(phenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is COC(c1ccccc1)c1nc(C(=O)NCc2ccc(Cl)cc2)c(O)c(=O)[nH]1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-hydroxy-2-[methoxy(phenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is HFQVTLUBVWQWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c1-28-17(13-5-3-2-4-6-13)18-23-15(16(25)20(27)24-18)19(26)22-11-12-7-9-14(21)10-8-12/h2-10,17,25H,11H2,1H3,(H,22,26)(H,23,24,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-hydroxy-2-[methoxy(phenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-5-hydroxy-2-[methoxy(phenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 399.83 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-hydroxy-2-[methoxy(phenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135601983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).