6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine

C13H17N3OS — CID 133484675

IUPAC6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCCOc1cc(N(C)CCc2cccs2)ncn1
InChIInChI=1S/C13H17N3OS/c1-3-17-13-9-12(14-10-15-13)16(2)7-6-11-5-4-8-18-11/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeySSHQSHFRTOSAHL-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.62
Rot. Bonds6

About 6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine

6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine (PubChem CID 133484675) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
PubChem CID133484675
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCCOc1cc(N(C)CCc2cccs2)ncn1
InChIInChI=1S/C13H17N3OS/c1-3-17-13-9-12(14-10-15-13)16(2)7-6-11-5-4-8-18-11/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeySSHQSHFRTOSAHL-UHFFFAOYSA-N
XLogP2.62
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine 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

2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 79475919
4-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470037
6-ethoxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 133464216
N-tert-butyl-N'-(6-ethoxypyrimidin-4-yl)-N'-methylethane-1,2-diamine
CID 66317906
N,N-dimethyl-2-thiophen-2-ylethanamine;hydrochloride
CID 19760547
5-(aminomethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 79470640
5-amino-2-[methyl(2-thiophen-2-ylethyl)amino]pyridine-4-carboxamide
CID 114090453
6-N-methyl-6-N-(2-thiophen-2-ylethyl)pyridine-2,6-diamine
CID 80652044
5-chloro-N-methyl-4-(methylaminomethyl)-N-(2-thiophen-2-ylethyl)pyridin-2-amine
CID 114926750
6-ethoxy-4-N-ethyl-2-N-methyl-2-N-(2-thiophen-2-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80837827
6-ethoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-4-amine
CID 133485067
2,2-diethoxy-N-methyl-N-(2-thiophen-2-ylethyl)ethanamine
CID 79486334

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine (CID 133484675) is 6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine is CCOc1cc(N(C)CCc2cccs2)ncn1.
What is the InChIKey of 6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The InChIKey is SSHQSHFRTOSAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-3-17-13-9-12(14-10-15-13)16(2)7-6-11-5-4-8-18-11/h4-5,8-10H,3,6-7H2,1-2H3.
What are the key properties of 6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine has a molecular weight of 263.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 133484675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).