N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide

C18H22N4O2 — CID 109324267

IUPACN-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H22N4O2/c1-3-14-4-6-15(7-5-14)20-17(23)16-12-13(2)19-18(21-16)22-8-10-24-11-9-22/h4-7,12H,3,8-11H2,1-2H3,(H,20,23)
InChIKeyWYMRNPNCKJYWQG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.44
Rot. Bonds4

About N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide

N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 109324267) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID109324267
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCc1ccc(NC(=O)c2cc(C)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C18H22N4O2/c1-3-14-4-6-15(7-5-14)20-17(23)16-12-13(2)19-18(21-16)22-8-10-24-11-9-22/h4-7,12H,3,8-11H2,1-2H3,(H,20,23)
InChIKeyWYMRNPNCKJYWQG-UHFFFAOYSA-N
XLogP2.44
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109325780
N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278
N-(4-ethylphenyl)-6-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109323021
6-methyl-2-morpholin-4-yl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109324299
N-(2-ethyl-6-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324269
N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324293
N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324279
N-(2,5-dichlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324340
N-(4-acetamidophenyl)-2-(4-acetylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326640
N-(4-fluorophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321642
2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109326101
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109331795

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 109324267) is N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide is CCc1ccc(NC(=O)c2cc(C)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is WYMRNPNCKJYWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-14-4-6-15(7-5-14)20-17(23)16-12-13(2)19-18(21-16)22-8-10-24-11-9-22/h4-7,12H,3,8-11H2,1-2H3,(H,20,23).
What are the key properties of N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109324267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).