N-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide

C19H24N4O2 — CID 136554886

IUPACN-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCc1ccc(CC)c(NC(=O)c2ccnc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H24N4O2/c1-3-14-5-6-15(4-2)17(13-14)21-18(24)16-7-8-20-19(22-16)23-9-11-25-12-10-23/h5-8,13H,3-4,9-12H2,1-2H3,(H,21,24)
InChIKeyWVAFPEYHGKZFMF-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.69
Rot. Bonds5

About N-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide

N-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 136554886) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID136554886
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCc1ccc(CC)c(NC(=O)c2ccnc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H24N4O2/c1-3-14-5-6-15(4-2)17(13-14)21-18(24)16-7-8-20-19(22-16)23-9-11-25-12-10-23/h5-8,13H,3-4,9-12H2,1-2H3,(H,21,24)
InChIKeyWVAFPEYHGKZFMF-UHFFFAOYSA-N
XLogP2.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300420
methyl 4-chloro-3-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109300469
1-(2-morpholin-4-ylpyrimidin-4-yl)propan-1-one
CID 170035961
methyl 4-[(2-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109300468
N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300438
N-(4-tert-butylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300433
N-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300487
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300470
N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324267
N-[2-(dimethylamino)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109300337
N-(1-methylbenzimidazol-2-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 139022042
N'-methoxy-N'-methyl-2-morpholin-4-ylpyrimidine-4-carbohydrazide
CID 87482379

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 136554886) is N-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide is CCc1ccc(CC)c(NC(=O)c2ccnc(N3CCOCC3)n2)c1.
What is the InChIKey of N-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is WVAFPEYHGKZFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-14-5-6-15(4-2)17(13-14)21-18(24)16-7-8-20-19(22-16)23-9-11-25-12-10-23/h5-8,13H,3-4,9-12H2,1-2H3,(H,21,24).
What are the key properties of N-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethylphenyl)-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 136554886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).