4-methyl-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide

C17H19N5O4 — CID 66504408

IUPAC4-methyl-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(N2CCOCC2)nc1C
InChIInChI=1S/C17H19N5O4/c1-11-3-4-13(22(24)25)9-15(11)20-16(23)14-10-18-17(19-12(14)2)21-5-7-26-8-6-21/h3-4,9-10H,5-8H2,1-2H3,(H,20,23)
InChIKeyHUBXQEULKRSSCF-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.09
Rot. Bonds4

About 4-methyl-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide

4-methyl-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 66504408) has the molecular formula C17H19N5O4 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-methyl-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID66504408
Molecular FormulaC17H19N5O4
Molecular Weight357.37 g/mol
Exact Mass357.14
IUPAC Name4-methyl-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(N2CCOCC2)nc1C
InChIInChI=1S/C17H19N5O4/c1-11-3-4-13(22(24)25)9-15(11)20-16(23)14-10-18-17(19-12(14)2)21-5-7-26-8-6-21/h3-4,9-10H,5-8H2,1-2H3,(H,20,23)
InChIKeyHUBXQEULKRSSCF-UHFFFAOYSA-N
XLogP2.09
TPSA110.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide
CID 66504049
N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959635
4-methyl-N-(3-nitrophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 66504375
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220821
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785
N-(3-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504121
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504338
4-methyl-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504104
N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23095335
N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504421
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methylphenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 28674491

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 66504408) is 4-methyl-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc(N2CCOCC2)nc1C.
What is the InChIKey of 4-methyl-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is HUBXQEULKRSSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4/c1-11-3-4-13(22(24)25)9-15(11)20-16(23)14-10-18-17(19-12(14)2)21-5-7-26-8-6-21/h3-4,9-10H,5-8H2,1-2H3,(H,20,23).
What are the key properties of 4-methyl-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
4-methyl-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 66504408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).