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

C18H22N4O3 — CID 109365450

IUPACN-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(N3CCOCC3)nc(C)n2)cc1
InChIInChI=1S/C18H22N4O3/c1-3-25-15-6-4-14(5-7-15)21-18(23)16-12-17(20-13(2)19-16)22-8-10-24-11-9-22/h4-7,12H,3,8-11H2,1-2H3,(H,21,23)
InChIKeyFAFQRHOTRKLBLX-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.27
Rot. Bonds5

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

N-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 109365450) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID109365450
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(N3CCOCC3)nc(C)n2)cc1
InChIInChI=1S/C18H22N4O3/c1-3-25-15-6-4-14(5-7-15)21-18(23)16-12-17(20-13(2)19-16)22-8-10-24-11-9-22/h4-7,12H,3,8-11H2,1-2H3,(H,21,23)
InChIKeyFAFQRHOTRKLBLX-UHFFFAOYSA-N
XLogP2.27
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109372888
2-methyl-6-morpholin-4-yl-N-phenylpyrimidine-4-carboxamide
CID 109365407
N-(3,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365492
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365472
N-(4-ethoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17454919
N-(2,6-dimethylphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365418
2-methyl-6-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109362838
N-(4-acetamidophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362830
2-methyl-6-morpholin-4-yl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360582
4-ethoxy-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 50945333
6-(azepan-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112847676
2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363513

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 109365450) is N-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide is CCOc1ccc(NC(=O)c2cc(N3CCOCC3)nc(C)n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is FAFQRHOTRKLBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-25-15-6-4-14(5-7-15)21-18(23)16-12-17(20-13(2)19-16)22-8-10-24-11-9-22/h4-7,12H,3,8-11H2,1-2H3,(H,21,23).
What are the key properties of N-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109365450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).