N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide

C15H15ClN4O2 — CID 109300438

IUPACN-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C15H15ClN4O2/c16-11-1-3-12(4-2-11)18-14(21)13-5-6-17-15(19-13)20-7-9-22-10-8-20/h1-6H,7-10H2,(H,18,21)
InChIKeySBMMURYSPJOMGE-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.22
Rot. Bonds3

About N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide

N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 109300438) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID109300438
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC NameN-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C15H15ClN4O2/c16-11-1-3-12(4-2-11)18-14(21)13-5-6-17-15(19-13)20-7-9-22-10-8-20/h1-6H,7-10H2,(H,18,21)
InChIKeySBMMURYSPJOMGE-UHFFFAOYSA-N
XLogP2.22
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109313208
N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300433
methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109300468
2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300479
N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300420
N-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300487
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550
N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 139022042
2-(azepan-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109313205
2-(azepan-1-yl)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109313267
N-(4-acetylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidine-4-carboxamide
CID 109309972
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300470

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 109300438) is N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide is O=C(Nc1ccc(Cl)cc1)c1ccnc(N2CCOCC2)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is SBMMURYSPJOMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c16-11-1-3-12(4-2-11)18-14(21)13-5-6-17-15(19-13)20-7-9-22-10-8-20/h1-6H,7-10H2,(H,18,21).
What are the key properties of N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109300438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).