N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide

C16H18N4O2 — CID 20959447

IUPACN-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C16H18N4O2/c1-12-3-2-4-14(9-12)19-15(21)13-10-17-16(18-11-13)20-5-7-22-8-6-20/h2-4,9-11H,5-8H2,1H3,(H,19,21)
InChIKeyQMVWDVZRMPFEMX-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.87
Rot. Bonds3

About N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide

N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 20959447) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID20959447
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C16H18N4O2/c1-12-3-2-4-14(9-12)19-15(21)13-10-17-16(18-11-13)20-5-7-22-8-6-20/h2-4,9-11H,5-8H2,1H3,(H,19,21)
InChIKeyQMVWDVZRMPFEMX-UHFFFAOYSA-N
XLogP1.87
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164782
N-(2-methyl-6-propan-2-ylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 109252269
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426
N-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109238727
N-(3-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504121
2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 109265476
methyl 3-[(2-pyrrolidin-1-ylpyrimidine-5-carbonyl)amino]benzoate
CID 109249479
2-methoxy-N-(3-methylphenyl)pyrimidine-5-carboxamide
CID 53337924
N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 3634035
N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109261157
methyl 3-[[2-(azepan-1-yl)pyrimidine-5-carbonyl]amino]benzoate
CID 109265014
1-(3-methylphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 91967391

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 20959447) is N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is Cc1cccc(NC(=O)c2cnc(N3CCOCC3)nc2)c1.
What is the InChIKey of N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is QMVWDVZRMPFEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12-3-2-4-14(9-12)19-15(21)13-10-17-16(18-11-13)20-5-7-22-8-6-20/h2-4,9-11H,5-8H2,1H3,(H,19,21).
What are the key properties of N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 20959447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).