4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide

C16H18N4O2 — CID 66504097

IUPAC4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C16H18N4O2/c1-12-14(15(21)19-13-5-3-2-4-6-13)11-17-16(18-12)20-7-9-22-10-8-20/h2-6,11H,7-10H2,1H3,(H,19,21)
InChIKeyNUKVKPGSDCOIQC-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.87
Rot. Bonds3

About 4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide

4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide (PubChem CID 66504097) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
PubChem CID66504097
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCOCC2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C16H18N4O2/c1-12-14(15(21)19-13-5-3-2-4-6-13)11-17-16(18-12)20-7-9-22-10-8-20/h2-6,11H,7-10H2,1H3,(H,19,21)
InChIKeyNUKVKPGSDCOIQC-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

4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 66504043
N-(3-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504121
4-methyl-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504104
4-methyl-2-morpholin-4-yl-N-(4-nitrophenyl)pyrimidine-5-carboxamide
CID 66504049
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504338
N-(3-chloro-4-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504421
N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 66504382
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-piperidin-1-ylpyrimidine-5-carboxamide
CID 66504155
4-[2-[(3-methylphenyl)methylamino]ethyl]-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 95812403
4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53336276

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide (CID 66504097) is 4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide is Cc1nc(N2CCOCC2)ncc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is NUKVKPGSDCOIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-12-14(15(21)19-13-5-3-2-4-6-13)11-17-16(18-12)20-7-9-22-10-8-20/h2-6,11H,7-10H2,1H3,(H,19,21).
What are the key properties of 4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide?
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-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 4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 66504097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).