N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide

C20H27N3O2S — CID 78847742

IUPACN,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCSc1nc(C(C)C)nc(C)c1C(=O)N(C)CCOc1cccc(C)c1
InChIInChI=1S/C20H27N3O2S/c1-13(2)18-21-15(4)17(19(22-18)26-6)20(24)23(5)10-11-25-16-9-7-8-14(3)12-16/h7-9,12-13H,10-11H2,1-6H3
InChIKeyUHYJGBXVNJKJBL-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.09
Rot. Bonds7

About N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide

N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 78847742) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID78847742
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCSc1nc(C(C)C)nc(C)c1C(=O)N(C)CCOc1cccc(C)c1
InChIInChI=1S/C20H27N3O2S/c1-13(2)18-21-15(4)17(19(22-18)26-6)20(24)23(5)10-11-25-16-9-7-8-14(3)12-16/h7-9,12-13H,10-11H2,1-6H3
InChIKeyUHYJGBXVNJKJBL-UHFFFAOYSA-N
XLogP4.09
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3-cyanopropoxy)phenyl]-4-methyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 87026616
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 107358744
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78847834
N,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]-1H-indole-2-carboxamide
CID 36753631
(2S)-2-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 119274564
N-methyl-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 137276081
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
5-bromo-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-2-carboxamide
CID 62954256
N-[2-(tert-butylamino)-2-oxoethyl]-N,4-dimethyl-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide
CID 78848024
2-amino-4-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 62474656
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-4-carboxamide
CID 66483737
N-methyl-N-[2-(3-methylphenoxy)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337273

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide (CID 78847742) is N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide is CSc1nc(C(C)C)nc(C)c1C(=O)N(C)CCOc1cccc(C)c1.
What is the InChIKey of N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is UHYJGBXVNJKJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-13(2)18-21-15(4)17(19(22-18)26-6)20(24)23(5)10-11-25-16-9-7-8-14(3)12-16/h7-9,12-13H,10-11H2,1-6H3.
What are the key properties of N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide?
N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[2-(3-methylphenoxy)ethyl]-6-methylsulfanyl-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 78847742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).