N-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide

C17H19Cl2N5O2 — CID 109253299

IUPACN-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cnc(NCCN2CCOCC2)nc1
InChIInChI=1S/C17H19Cl2N5O2/c18-13-2-1-3-14(15(13)19)23-16(25)12-10-21-17(22-11-12)20-4-5-24-6-8-26-9-7-24/h1-3,10-11H,4-9H2,(H,23,25)(H,20,21,22)
InChIKeyWTMMIQYCYSOQHV-UHFFFAOYSA-N
MW396.28 g/mol
LogP2.78
Rot. Bonds6

About N-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide

N-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide (PubChem CID 109253299) has the molecular formula C17H19Cl2N5O2 and a molecular weight of 396.28 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
PubChem CID109253299
Molecular FormulaC17H19Cl2N5O2
Molecular Weight396.28 g/mol
Exact Mass395.09
IUPAC NameN-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cnc(NCCN2CCOCC2)nc1
InChIInChI=1S/C17H19Cl2N5O2/c18-13-2-1-3-14(15(13)19)23-16(25)12-10-21-17(22-11-12)20-4-5-24-6-8-26-9-7-24/h1-3,10-11H,4-9H2,(H,23,25)(H,20,21,22)
InChIKeyWTMMIQYCYSOQHV-UHFFFAOYSA-N
XLogP2.78
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dichlorophenyl)-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109207708
2,3-dichloro-N-(2-morpholin-4-ylethyl)aniline
CID 28774944
N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263849
N-(2,3-dichlorophenyl)-2,2-dimethyl-N'-(2-morpholin-4-ylethyl)propanediamide
CID 108960486
2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide
CID 109255517
morpholin-4-yl-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone
CID 109252034
2-(2-morpholin-4-ylethylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109253182
N-(2,4-dichlorophenyl)-6-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109154085
N-[2-(2-fluorophenyl)ethyl]-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253197
N-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide
CID 109184910
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 109167430
N-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253198

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide (CID 109253299) is N-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1cnc(NCCN2CCOCC2)nc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide?
The InChIKey is WTMMIQYCYSOQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5O2/c18-13-2-1-3-14(15(13)19)23-16(25)12-10-21-17(22-11-12)20-4-5-24-6-8-26-9-7-24/h1-3,10-11H,4-9H2,(H,23,25)(H,20,21,22).
What are the key properties of N-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide?
N-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide has a molecular weight of 396.28 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109253299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).