N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide

C16H17ClN4O2 — CID 109324279

IUPACN-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C16H17ClN4O2/c1-11-10-14(15(22)19-13-5-3-2-4-12(13)17)20-16(18-11)21-6-8-23-9-7-21/h2-5,10H,6-9H2,1H3,(H,19,22)
InChIKeyNTJSWMHQRSRUNX-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.53
Rot. Bonds3

About N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide

N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 109324279) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID109324279
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC NameN-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C16H17ClN4O2/c1-11-10-14(15(22)19-13-5-3-2-4-12(13)17)20-16(18-11)21-6-8-23-9-7-21/h2-5,10H,6-9H2,1H3,(H,19,22)
InChIKeyNTJSWMHQRSRUNX-UHFFFAOYSA-N
XLogP2.53
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324340
2-(azepan-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334370
N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278
N-(2-ethyl-6-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324269
N-(2-tert-butylphenyl)-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322351
N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324267
N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324293
2-chloro-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 72718377
6-methyl-2-morpholin-4-yl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109324299
6-methyl-2-morpholin-4-yl-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 56731273
N-(2,6-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326134
6-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 56731265

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 109324279) is N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2Cl)nc(N2CCOCC2)n1.
What is the InChIKey of N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is NTJSWMHQRSRUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-11-10-14(15(22)19-13-5-3-2-4-12(13)17)20-16(18-11)21-6-8-23-9-7-21/h2-5,10H,6-9H2,1H3,(H,19,22).
What are the key properties of N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109324279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).