N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide

C17H18Cl2N4O4 — CID 54682024

IUPACN-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide
SMILESCn1c(N2CCOCC2)nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(O)c1=O
InChIInChI=1S/C17H18Cl2N4O4/c1-22-16(26)14(24)13(21-17(22)23-4-6-27-7-5-23)15(25)20-9-10-2-3-11(18)12(19)8-10/h2-3,8,24H,4-7,9H2,1H3,(H,20,25)
InChIKeyCDGOMKQBHCSAPB-UHFFFAOYSA-N
MW413.26 g/mol
LogP1.56
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide

N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide (PubChem CID 54682024) has the molecular formula C17H18Cl2N4O4 and a molecular weight of 413.26 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide
PubChem CID54682024
Molecular FormulaC17H18Cl2N4O4
Molecular Weight413.26 g/mol
Exact Mass412.07
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide
SMILESCn1c(N2CCOCC2)nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(O)c1=O
InChIInChI=1S/C17H18Cl2N4O4/c1-22-16(26)14(24)13(21-17(22)23-4-6-27-7-5-23)15(25)20-9-10-2-3-11(18)12(19)8-10/h2-3,8,24H,4-7,9H2,1H3,(H,20,25)
InChIKeyCDGOMKQBHCSAPB-UHFFFAOYSA-N
XLogP1.56
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide (CID 54682024) is N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide is Cn1c(N2CCOCC2)nc(C(=O)NCc2ccc(Cl)c(Cl)c2)c(O)c1=O.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide?
The InChIKey is CDGOMKQBHCSAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O4/c1-22-16(26)14(24)13(21-17(22)23-4-6-27-7-5-23)15(25)20-9-10-2-3-11(18)12(19)8-10/h2-3,8,24H,4-7,9H2,1H3,(H,20,25).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide has a molecular weight of 413.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-5-hydroxy-1-methyl-2-morpholin-4-yl-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54682024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).