2-[(2,3-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyrimidine-4-carboxamide

C24H25Cl2N3O4 — CID 136509270

IUPAC2-[(2,3-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyrimidine-4-carboxamide
SMILESCC(C)N(CCO)C(=O)c1nc(Cc2cccc(Cl)c2Cl)[nH]c(=O)c1OCc1ccccc1
InChIInChI=1S/C24H25Cl2N3O4/c1-15(2)29(11-12-30)24(32)21-22(33-14-16-7-4-3-5-8-16)23(31)28-19(27-21)13-17-9-6-10-18(25)20(17)26/h3-10,15,30H,11-14H2,1-2H3,(H,27,28,31)
InChIKeyRCNJTGHVXVEOKN-UHFFFAOYSA-N
MW490.39 g/mol
LogP4.09
Rot. Bonds9

About 2-[(2,3-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyrimidine-4-carboxamide

2-[(2,3-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyrimidine-4-carboxamide (PubChem CID 136509270) has the molecular formula C24H25Cl2N3O4 and a molecular weight of 490.39 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyrimidine-4-carboxamide
PubChem CID136509270
Molecular FormulaC24H25Cl2N3O4
Molecular Weight490.39 g/mol
Exact Mass489.12
IUPAC Name2-[(2,3-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyrimidine-4-carboxamide
SMILESCC(C)N(CCO)C(=O)c1nc(Cc2cccc(Cl)c2Cl)[nH]c(=O)c1OCc1ccccc1
InChIInChI=1S/C24H25Cl2N3O4/c1-15(2)29(11-12-30)24(32)21-22(33-14-16-7-4-3-5-8-16)23(31)28-19(27-21)13-17-9-6-10-18(25)20(17)26/h3-10,15,30H,11-14H2,1-2H3,(H,27,28,31)
InChIKeyRCNJTGHVXVEOKN-UHFFFAOYSA-N
XLogP4.09
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.39
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzyloxy)-2-((1-(4-chlorophenyl)cyclopentyl)methyl)-6-hydroxy-N-(2-hydroxyethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrimidine-4-carboxamide
CID 136348527
2-[2-(4-chlorophenyl)-2-ethylpentyl]-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-(1,1,1-trifluoropropan-2-yl)-1H-pyrimidine-4-carboxamide
CID 137022413
2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-(1,1,2-trifluoropropan-2-yl)-1H-pyrimidine-4-carboxamide
CID 162565062
9-benzyloxy-6-(2,6-dichlorobenzyl)-2-isopropyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
CID 86725854
9-benzyloxy-6-(2,3-dichlorobenzyl)-2-isopropyl-3,4-dihydro-2H-pyrazino[1,2-c]pyrimidine-1,8-dione
CID 86725868
9-(Benzyloxy)-6-((1-(3,4-dichlorophenyl)cyclopentyl)methyl)-2-isopropyl-3,4-dihydro-1H-pyrazino[1,2-c]pyrimidine-1,8(2H)-dione
CID 86726137
6-[Cyclopentyl-(2,5-dichlorophenyl)methyl]-9-phenylmethoxy-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 90271918
N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-6-oxo-2-(1-phenylmethoxybutyl)-1H-pyrimidine-4-carboxamide
CID 135601596
benzyl N-[[4-[(3-chloro-4-methylphenyl)methylcarbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]methyl]carbamate
CID 135601662
N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-6-oxo-2-[phenyl(phenylmethoxy)methyl]-1H-pyrimidine-4-carboxamide
CID 135601667
N-[(4-chlorophenyl)methyl]-5-hydroxy-2-[methoxy(phenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601983
N-[(3-chloro-4-methylphenyl)methyl]-5-hydroxy-2-[methoxy(phenyl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 135971589

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-[(2,3-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyrimidine-4-carboxamide (CID 136509270) is 2-[(2,3-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyrimidine-4-carboxamide is CC(C)N(CCO)C(=O)c1nc(Cc2cccc(Cl)c2Cl)[nH]c(=O)c1OCc1ccccc1.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyrimidine-4-carboxamide?
The InChIKey is RCNJTGHVXVEOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O4/c1-15(2)29(11-12-30)24(32)21-22(33-14-16-7-4-3-5-8-16)23(31)28-19(27-21)13-17-9-6-10-18(25)20(17)26/h3-10,15,30H,11-14H2,1-2H3,(H,27,28,31).
What are the key properties of 2-[(2,3-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyrimidine-4-carboxamide?
2-[(2,3-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyrimidine-4-carboxamide has a molecular weight of 490.39 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136509270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).