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

C17H19ClN4O2 — CID 109365353

IUPACN-[(4-chlorophenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(Cl)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C17H19ClN4O2/c1-12-20-15(10-16(21-12)22-6-8-24-9-7-22)17(23)19-11-13-2-4-14(18)5-3-13/h2-5,10H,6-9,11H2,1H3,(H,19,23)
InChIKeyNRBDXEBXFXPVJO-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.21
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 109365353) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID109365353
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-[(4-chlorophenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(Cl)cc2)cc(N2CCOCC2)n1
InChIInChI=1S/C17H19ClN4O2/c1-12-20-15(10-16(21-12)22-6-8-24-9-7-22)17(23)19-11-13-2-4-14(18)5-3-13/h2-5,10H,6-9,11H2,1H3,(H,19,23)
InChIKeyNRBDXEBXFXPVJO-UHFFFAOYSA-N
XLogP2.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[(2-methylphenyl)methyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365345
N-(2,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365493
6-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369880
N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109361747
N-[(2-methoxyphenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365354
6-(4-ethylpiperazin-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109367168
N-[(4-fluorophenyl)methyl]-6-(4-formylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367444
N-(3,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365492
2-methyl-6-morpholin-4-yl-N-phenylpyrimidine-4-carboxamide
CID 109365407
N-(2,6-dimethylphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365418
N-[(4-fluorophenyl)methyl]-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364108
4-chloro-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56700161

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 109365353) is N-[(4-chlorophenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide is Cc1nc(C(=O)NCc2ccc(Cl)cc2)cc(N2CCOCC2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is NRBDXEBXFXPVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-12-20-15(10-16(21-12)22-6-8-24-9-7-22)17(23)19-11-13-2-4-14(18)5-3-13/h2-5,10H,6-9,11H2,1H3,(H,19,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109365353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).