4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide

C16H17N5O4 — CID 66504049

IUPAC4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H17N5O4/c1-11-14(10-17-16(18-11)20-6-8-25-9-7-20)15(22)19-12-2-4-13(5-3-12)21(23)24/h2-5,10H,6-9H2,1H3,(H,19,22)
InChIKeyQTIFEFCPCKNRQP-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.78
Rot. Bonds4

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

4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide (PubChem CID 66504049) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide
PubChem CID66504049
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Name4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide
SMILESCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H17N5O4/c1-11-14(10-17-16(18-11)20-6-8-25-9-7-20)15(22)19-12-2-4-13(5-3-12)21(23)24/h2-5,10H,6-9H2,1H3,(H,19,22)
InChIKeyQTIFEFCPCKNRQP-UHFFFAOYSA-N
XLogP1.78
TPSA110.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.78
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-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504408
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
4-methyl-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504104
4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 66504043
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504338
4-methyl-N-(3-nitrophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 66504375
N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504421
N-(3-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504121
N-(4-hydroxyphenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66504155
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785
N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959635
N-(4-hydroxyphenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504118

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide (CID 66504049) is 4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide is Cc1nc(N2CCOCC2)ncc1C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide?
The InChIKey is QTIFEFCPCKNRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-11-14(10-17-16(18-11)20-6-8-25-9-7-20)15(22)19-12-2-4-13(5-3-12)21(23)24/h2-5,10H,6-9H2,1H3,(H,19,22).
What are the key properties of 4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide?
4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 66504049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).