N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide

C18H22N4O2 — CID 109343494

IUPACN-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C18H22N4O2/c1-3-14-6-4-5-13(2)17(14)21-18(23)15-11-16(20-12-19-15)22-7-9-24-10-8-22/h4-6,11-12H,3,7-10H2,1-2H3,(H,21,23)
InChIKeyGEZYOZWHYIVFNL-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.44
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide

N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 109343494) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID109343494
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C18H22N4O2/c1-3-14-6-4-5-13(2)17(14)21-18(23)15-11-16(20-12-19-15)22-7-9-24-10-8-22/h4-6,11-12H,3,7-10H2,1-2H3,(H,21,23)
InChIKeyGEZYOZWHYIVFNL-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-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345048
N-(2-ethyl-6-methylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324269
6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109345330
N-(2,6-dimethylphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365418
N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343498
N-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 154843375
6-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109126367
6-morpholin-4-yl-N-pyridin-3-ylpyrimidine-4-carboxamide
CID 91816399
N-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343472
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109345919
N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182066
N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116545

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 109343494) is N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is CCc1cccc(C)c1NC(=O)c1cc(N2CCOCC2)ncn1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is GEZYOZWHYIVFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-14-6-4-5-13(2)17(14)21-18(23)15-11-16(20-12-19-15)22-7-9-24-10-8-22/h4-6,11-12H,3,7-10H2,1-2H3,(H,21,23).
What are the key properties of N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-(2-ethyl-6-methylphenyl)-6-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-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109343494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).