4-N-ethyl-6-N,2,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

C14H20N4S — CID 80798913

IUPAC4-N-ethyl-6-N,2,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCN(Cc1cccs1)c1nc(C)nc(NC)c1C
InChIInChI=1S/C14H20N4S/c1-5-18(9-12-7-6-8-19-12)14-10(2)13(15-4)16-11(3)17-14/h6-8H,5,9H2,1-4H3,(H,15,16,17)
InChIKeyIIPDEQVFGRNYSP-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.22
Rot. Bonds5

About 4-N-ethyl-6-N,2,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine

4-N-ethyl-6-N,2,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 80798913) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-N-ethyl-6-N,2,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-N,2,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID80798913
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name4-N-ethyl-6-N,2,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCCN(Cc1cccs1)c1nc(C)nc(NC)c1C
InChIInChI=1S/C14H20N4S/c1-5-18(9-12-7-6-8-19-12)14-10(2)13(15-4)16-11(3)17-14/h6-8H,5,9H2,1-4H3,(H,15,16,17)
InChIKeyIIPDEQVFGRNYSP-UHFFFAOYSA-N
XLogP3.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,2-diethyl-6-N,5-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80985864
2-tert-butyl-4-N,6-N,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80986264
6-hydrazinyl-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896519
4-N-ethyl-6-N,2,5-trimethyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 80774156
4-N-ethyl-4-N-(2-methoxyethyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80808572
1-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-ethylamino]-2-methylpropan-2-ol
CID 80848781
3-[ethyl(thiophen-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62701009
N-ethyl-5-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazin-2-amine
CID 107379721
4-N-ethyl-2-N-methyl-4-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564361
N-ethyl-5-fluoro-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896411
N-ethyl-6-hydrazinyl-2,5-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 80929470
3-(aminomethyl)-N-ethyl-N-(thiophen-2-ylmethyl)isoquinolin-1-amine
CID 62284333

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N,2,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-6-N,2,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine (CID 80798913) is 4-N-ethyl-6-N,2,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-6-N,2,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-6-N,2,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is CCN(Cc1cccs1)c1nc(C)nc(NC)c1C.
What is the InChIKey of 4-N-ethyl-6-N,2,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is IIPDEQVFGRNYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-5-18(9-12-7-6-8-19-12)14-10(2)13(15-4)16-11(3)17-14/h6-8H,5,9H2,1-4H3,(H,15,16,17).
What are the key properties of 4-N-ethyl-6-N,2,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-ethyl-6-N,2,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N,2,5-trimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80798913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).