2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine

C13H18N4S — CID 80933955

IUPAC2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(NC(C)c2cccs2)n1
InChIInChI=1S/C13H18N4S/c1-4-11-16-12(14-3)8-13(17-11)15-9(2)10-6-5-7-18-10/h5-9H,4H2,1-3H3,(H2,14,15,16,17)
InChIKeyYDPIZYKONXACNW-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.32
Rot. Bonds5

About 2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine

2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80933955) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
PubChem CID80933955
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)cc(NC(C)c2cccs2)n1
InChIInChI=1S/C13H18N4S/c1-4-11-16-12(14-3)8-13(17-11)15-9(2)10-6-5-7-18-10/h5-9H,4H2,1-3H3,(H2,14,15,16,17)
InChIKeyYDPIZYKONXACNW-UHFFFAOYSA-N
XLogP3.32
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine 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

6-chloro-2-propyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80940733
6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4,6-triamine
CID 80781743
2-ethyl-6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80933272
2-ethyl-6-N-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80934183
6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80781298
2-ethyl-6-N-methyl-4-N-(1-thiophen-3-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80934504
2-ethyl-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62192702
6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80781949
2-ethyl-6-N-methyl-4-N-(4-phenylbutan-2-yl)pyrimidine-4,6-diamine
CID 80940320
N-(1-thiophen-2-ylethyl)quinoxalin-2-amine
CID 47142874
4-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80941304
1,5-dimethyl-N-(1-thiophen-2-ylethyl)pyrazol-3-amine
CID 115922060

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine (CID 80933955) is 2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine is CCc1nc(NC)cc(NC(C)c2cccs2)n1.
What is the InChIKey of 2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is YDPIZYKONXACNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-4-11-16-12(14-3)8-13(17-11)15-9(2)10-6-5-7-18-10/h5-9H,4H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine?
2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 262.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N-methyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80933955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).