3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide

C20H27N5O2 — CID 134706732

IUPAC3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide
SMILESCCc1cc(NCCC(=O)Nc2ccc(C)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H27N5O2/c1-3-16-14-18(24-20(23-16)25-10-12-27-13-11-25)21-9-8-19(26)22-17-6-4-15(2)5-7-17/h4-7,14H,3,8-13H2,1-2H3,(H,22,26)(H,21,23,24)
InChIKeySFYOBIDHRUQRLJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.62
Rot. Bonds7

About 3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide

3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide (PubChem CID 134706732) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide
PubChem CID134706732
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide
SMILESCCc1cc(NCCC(=O)Nc2ccc(C)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H27N5O2/c1-3-16-14-18(24-20(23-16)25-10-12-27-13-11-25)21-9-8-19(26)22-17-6-4-15(2)5-7-17/h4-7,14H,3,8-13H2,1-2H3,(H,22,26)(H,21,23,24)
InChIKeySFYOBIDHRUQRLJ-UHFFFAOYSA-N
XLogP2.62
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,6-diethylanilino)-N-(4-methylphenyl)propanamide
CID 109034349
(2S)-2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-2-phenylacetamide
CID 135106210
6-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 135108999
2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122325940
1-(4-tert-butylphenyl)-3-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 122353897
2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 53047890
1-(4-methylphenyl)-3-[2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 11583059
1-(4-chlorophenyl)-3-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]urea
CID 121074997
N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324267
2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide
CID 95922797
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 134708604
3-(2-ethyl-6-methylanilino)-N-(4-methylphenyl)propanamide
CID 109034345

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide (CID 134706732) is 3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide is CCc1cc(NCCC(=O)Nc2ccc(C)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of 3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide?
The InChIKey is SFYOBIDHRUQRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-3-16-14-18(24-20(23-16)25-10-12-27-13-11-25)21-9-8-19(26)22-17-6-4-15(2)5-7-17/h4-7,14H,3,8-13H2,1-2H3,(H,22,26)(H,21,23,24).
What are the key properties of 3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide?
3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide has a molecular weight of 369.47 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 134706732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).