6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine

C14H20N4S — CID 80935379

IUPAC6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCc2ccsc2)nc(CC)n1
InChIInChI=1S/C14H20N4S/c1-3-12-17-13(15-4-2)9-14(18-12)16-7-5-11-6-8-19-10-11/h6,8-10H,3-5,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyFWWVSYBITFSJCC-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.19
Rot. Bonds7

About 6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine

6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine (PubChem CID 80935379) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
PubChem CID80935379
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCCc2ccsc2)nc(CC)n1
InChIInChI=1S/C14H20N4S/c1-3-12-17-13(15-4-2)9-14(18-12)16-7-5-11-6-8-19-10-11/h6,8-10H,3-5,7H2,1-2H3,(H2,15,16,17,18)
InChIKeyFWWVSYBITFSJCC-UHFFFAOYSA-N
XLogP3.19
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-(2-thiophen-3-ylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771223
6-N,2-diethyl-5-methyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80987280
6-N-ethyl-2-propyl-4-N-(thiophen-3-ylmethyl)pyrimidine-4,6-diamine
CID 80950446
6-N,2-diethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 80933212
4-N-[2-(4-chlorophenyl)ethyl]-6-N,2-diethylpyrimidine-4,6-diamine
CID 80939872
2-propan-2-yl-6-N-propyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80961771
2-ethyl-6-hydrazinyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 80937932
4-[2-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80933216
6-hydrazinyl-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 80897852
6-N-ethyl-2-N,2-N-dimethyl-4-N-(2-thiophen-3-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 80800490
2-chloro-6-(2-thiophen-3-ylethylamino)pyridine-4-carbonitrile
CID 83074490
6-N,2-diethyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80935204

Frequently Asked Questions

What is the IUPAC name of 6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine (CID 80935379) is 6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine is CCNc1cc(NCCc2ccsc2)nc(CC)n1.
What is the InChIKey of 6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
The InChIKey is FWWVSYBITFSJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-12-17-13(15-4-2)9-14(18-12)16-7-5-11-6-8-19-10-11/h6,8-10H,3-5,7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine?
6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-diethyl-4-N-(2-thiophen-3-ylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80935379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).