5-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide

C17H22N4O2S — CID 166277819

IUPAC5-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1cnc(N2CCOCC2)nc1C(=O)NCCc1sccc1C
InChIInChI=1S/C17H22N4O2S/c1-12-4-10-24-14(12)3-5-18-16(22)15-13(2)11-19-17(20-15)21-6-8-23-9-7-21/h4,10-11H,3,5-9H2,1-2H3,(H,18,22)
InChIKeyQLMLHNULEHSWPK-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.96
Rot. Bonds5

About 5-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide

5-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 166277819) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 5-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID166277819
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name5-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1cnc(N2CCOCC2)nc1C(=O)NCCc1sccc1C
InChIInChI=1S/C17H22N4O2S/c1-12-4-10-24-14(12)3-5-18-16(22)15-13(2)11-19-17(20-15)21-6-8-23-9-7-21/h4,10-11H,3,5-9H2,1-2H3,(H,18,22)
InChIKeyQLMLHNULEHSWPK-UHFFFAOYSA-N
XLogP1.96
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
CID 20959640
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505704
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide
CID 122298326
N-cyclopropyl-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505785
5-chloro-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 47044623
methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate
CID 115190738
N-[(3-methylthiophen-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
CID 43724746
4-methyl-N-(2-methyl-5-nitrophenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504408
1-[2-(3-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122008877
N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 117080779
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 137302247

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 166277819) is 5-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide is Cc1cnc(N2CCOCC2)nc1C(=O)NCCc1sccc1C.
What is the InChIKey of 5-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is QLMLHNULEHSWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-12-4-10-24-14(12)3-5-18-16(22)15-13(2)11-19-17(20-15)21-6-8-23-9-7-21/h4,10-11H,3,5-9H2,1-2H3,(H,18,22).
What are the key properties of 5-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide?
5-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(3-methylthiophen-2-yl)ethyl]-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 166277819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).