2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide

C21H27N5O2 — CID 109250604

IUPAC2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1cnc(NC2CCCCC2)nc1
InChIInChI=1S/C21H27N5O2/c27-20(16-14-22-21(23-15-16)24-17-6-2-1-3-7-17)25-18-8-4-5-9-19(18)26-10-12-28-13-11-26/h4-5,8-9,14-15,17H,1-3,6-7,10-13H2,(H,25,27)(H,22,23,24)
InChIKeyWSMIABXLSICFIO-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.31
Rot. Bonds5

About 2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide

2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide (PubChem CID 109250604) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
PubChem CID109250604
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1cnc(NC2CCCCC2)nc1
InChIInChI=1S/C21H27N5O2/c27-20(16-14-22-21(23-15-16)24-17-6-2-1-3-7-17)25-18-8-4-5-9-19(18)26-10-12-28-13-11-26/h4-5,8-9,14-15,17H,1-3,6-7,10-13H2,(H,25,27)(H,22,23,24)
InChIKeyWSMIABXLSICFIO-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 ≤ 500381.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(cyclopropylamino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 109223906
2-(diethylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109262545
N-cyclohexyl-2-morpholin-4-ylaniline
CID 43717230
2-(2-morpholin-4-ylanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265133
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
N-(2-morpholin-4-ylphenyl)-1,2-oxazole-4-carboxamide
CID 110862325
2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109249844
2-N-cyclopropyl-4-N-(2-morpholin-4-ylphenyl)pyridine-2,4-dicarboxamide
CID 109078752
2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112885027
N-(3-fluorophenyl)-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
CID 109270349
N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250566

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide (CID 109250604) is 2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide is O=C(Nc1ccccc1N1CCOCC1)c1cnc(NC2CCCCC2)nc1.
What is the InChIKey of 2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide?
The InChIKey is WSMIABXLSICFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c27-20(16-14-22-21(23-15-16)24-17-6-2-1-3-7-17)25-18-8-4-5-9-19(18)26-10-12-28-13-11-26/h4-5,8-9,14-15,17H,1-3,6-7,10-13H2,(H,25,27)(H,22,23,24).
What are the key properties of 2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide?
2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide has a molecular weight of 381.48 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-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109250604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).