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

C11H14N4S — CID 79915736

IUPAC4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
SMILESCCN(Cc1cccs1)c1ncncc1N
InChIInChI=1S/C11H14N4S/c1-2-15(7-9-4-3-5-16-9)11-10(12)6-13-8-14-11/h3-6,8H,2,7,12H2,1H3
InChIKeyHWMYNMDJTPHXFG-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.15
Rot. Bonds4

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

4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 79915736) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
PubChem CID79915736
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
SMILESCCN(Cc1cccs1)c1ncncc1N
InChIInChI=1S/C11H14N4S/c1-2-15(7-9-4-3-5-16-9)11-10(12)6-13-8-14-11/h3-6,8H,2,7,12H2,1H3
InChIKeyHWMYNMDJTPHXFG-UHFFFAOYSA-N
XLogP2.15
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-propan-2-yl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79917686
5-amino-6-[ethyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467817
6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 63023419
4-N-ethyl-4-N-propylpyrimidine-4,5-diamine
CID 79915949
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
N-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896019
4-chloro-6-[ethyl(thiophen-2-ylmethyl)amino]pyrimidine-5-carbaldehyde
CID 66334837
3-amino-2-[ethyl(thiophen-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 82817692
4-(2-thiophen-2-ylethoxy)pyrimidin-5-amine
CID 79916541
N-ethyl-5-fluoro-2-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896411
1-N-ethyl-2,6-difluoro-1-N-(thiophen-2-ylmethyl)benzene-1,4-diamine
CID 61437248
8-N-ethyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80798910

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine (CID 79915736) is 4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine is CCN(Cc1cccs1)c1ncncc1N.
What is the InChIKey of 4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is HWMYNMDJTPHXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-2-15(7-9-4-3-5-16-9)11-10(12)6-13-8-14-11/h3-6,8H,2,7,12H2,1H3.
What are the key properties of 4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine?
4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 234.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 79915736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).