N-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide

C16H16Cl2N4O2 — CID 109365497

IUPACN-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(Cl)c2Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C16H16Cl2N4O2/c1-10-19-13(9-14(20-10)22-5-7-24-8-6-22)16(23)21-12-4-2-3-11(17)15(12)18/h2-4,9H,5-8H2,1H3,(H,21,23)
InChIKeyWLWCWHBIVVWFKZ-UHFFFAOYSA-N
MW367.24 g/mol
LogP3.18
Rot. Bonds3

About N-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide

N-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 109365497) has the molecular formula C16H16Cl2N4O2 and a molecular weight of 367.24 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID109365497
Molecular FormulaC16H16Cl2N4O2
Molecular Weight367.24 g/mol
Exact Mass366.07
IUPAC NameN-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(Cl)c2Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C16H16Cl2N4O2/c1-10-19-13(9-14(20-10)22-5-7-24-8-6-22)16(23)21-12-4-2-3-11(17)15(12)18/h2-4,9H,5-8H2,1H3,(H,21,23)
InChIKeyWLWCWHBIVVWFKZ-UHFFFAOYSA-N
XLogP3.18
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473
N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365478
N-(2,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365493
N-(2,6-dimethylphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365418
N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362803
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365446
N-(3,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365492
methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109365464
2-methyl-6-morpholin-4-yl-N-phenylpyrimidine-4-carboxamide
CID 109365407
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 109167430
N-(2,3-dichlorophenyl)-5-morpholin-4-ylpyridine-2-carboxamide
CID 109184910
N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362787

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 109365497) is N-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2cccc(Cl)c2Cl)cc(N2CCOCC2)n1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is WLWCWHBIVVWFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O2/c1-10-19-13(9-14(20-10)22-5-7-24-8-6-22)16(23)21-12-4-2-3-11(17)15(12)18/h2-4,9H,5-8H2,1H3,(H,21,23).
What are the key properties of N-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 367.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109365497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).