N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide

C20H21Cl2N5O4 — CID 57494565

IUPACN-[(3,4-dichlorophenyl)methyl]-6-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1nc2n(CCN3CCOCC3)ccn2c(=O)c1O
InChIInChI=1S/C20H21Cl2N5O4/c21-14-2-1-13(11-15(14)22)12-23-18(29)16-17(28)19(30)27-6-5-26(20(27)24-16)4-3-25-7-9-31-10-8-25/h1-2,5-6,11,28H,3-4,7-10,12H2,(H,23,29)
InChIKeyYVVVRRHXZMKJAA-UHFFFAOYSA-N
MW466.33 g/mol
LogP1.77
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide

N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide (PubChem CID 57494565) has the molecular formula C20H21Cl2N5O4 and a molecular weight of 466.33 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-6-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide
PubChem CID57494565
Molecular FormulaC20H21Cl2N5O4
Molecular Weight466.33 g/mol
Exact Mass465.10
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-6-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1nc2n(CCN3CCOCC3)ccn2c(=O)c1O
InChIInChI=1S/C20H21Cl2N5O4/c21-14-2-1-13(11-15(14)22)12-23-18(29)16-17(28)19(30)27-6-5-26(20(27)24-16)4-3-25-7-9-31-10-8-25/h1-2,5-6,11,28H,3-4,7-10,12H2,(H,23,29)
InChIKeyYVVVRRHXZMKJAA-UHFFFAOYSA-N
XLogP1.77
TPSA101.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3-chlorophenyl)methyl]-5-hydroxy-1-methyl-2-(4-methylmorpholin-3-yl)-6-oxo-pyrimidine-4-carboxamide
CID 54677520
1-(2,3-Dichlorobenzyl)-7-morpholinoimidazo[1,2-a]pyrimidin-5(1H)-one
CID 57401865
1-(2,3-Dichlorobenzyl)-2-methyl-7-morpholinoimidazo[1,2-a]pyrimidin-5(1H)-one
CID 57345685
1-[(3,4-Dichlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 57391364
1-[(2,3-Dichlorophenyl)methyl]-2,3-dimethyl-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
CID 57401869
N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9-methyl-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717365
N-[(3,4-dichlorophenyl)methyl]-9-ethyl-3-hydroxy-4-oxo-7,9-dihydro-6H-pyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717371
N-[3-(3,4-dichlorophenyl)propyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717381
N-[(4-chlorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717388
N-[(3,4-dichlorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717537
N-[(3-chlorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717542
N-[(2,3-dichlorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54717543

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide (CID 57494565) is N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide is O=C(NCc1ccc(Cl)c(Cl)c1)c1nc2n(CCN3CCOCC3)ccn2c(=O)c1O.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide?
The InChIKey is YVVVRRHXZMKJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O4/c21-14-2-1-13(11-15(14)22)12-23-18(29)16-17(28)19(30)27-6-5-26(20(27)24-16)4-3-25-7-9-31-10-8-25/h1-2,5-6,11,28H,3-4,7-10,12H2,(H,23,29).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide has a molecular weight of 466.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-6-hydroxy-1-(2-morpholin-4-ylethyl)-5-oxoimidazo[1,2-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 57494565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).