2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide

C21H21N5O2 — CID 109265133

IUPAC2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(Nc2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C21H21N5O2/c27-20(24-17-6-2-1-3-7-17)16-14-22-21(23-15-16)25-18-8-4-5-9-19(18)26-10-12-28-13-11-26/h1-9,14-15H,10-13H2,(H,24,27)(H,22,23,25)
InChIKeyOJMSJFNJOVWFAY-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.31
Rot. Bonds5

About 2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide

2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide (PubChem CID 109265133) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide
PubChem CID109265133
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1)c1cnc(Nc2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C21H21N5O2/c27-20(24-17-6-2-1-3-7-17)16-14-22-21(23-15-16)25-18-8-4-5-9-19(18)26-10-12-28-13-11-26/h1-9,14-15H,10-13H2,(H,24,27)(H,22,23,25)
InChIKeyOJMSJFNJOVWFAY-UHFFFAOYSA-N
XLogP3.31
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
CID 109270349
N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
CID 109253442
2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109250604
2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide
CID 109264608
6-methyl-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 18148178
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109253956
2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265090
2-(diethylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109262545
3-[[5-fluoro-2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-N-hydroxybenzamide
CID 175329947
N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide
CID 110862325
morpholin-4-yl-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]methanone
CID 109153485
N-(4-carbamoylphenyl)-4-[2-(2-morpholin-4-ylanilino)pyrimidin-4-yl]piperazine-1-carboxamide
CID 175040828

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide (CID 109265133) is 2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide is O=C(Nc1ccccc1)c1cnc(Nc2ccccc2N2CCOCC2)nc1.
What is the InChIKey of 2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide?
The InChIKey is OJMSJFNJOVWFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-20(24-17-6-2-1-3-7-17)16-14-22-21(23-15-16)25-18-8-4-5-9-19(18)26-10-12-28-13-11-26/h1-9,14-15H,10-13H2,(H,24,27)(H,22,23,25).
What are the key properties of 2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide?
2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 109265133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).