2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine

C14H20N4S — CID 80807159

IUPAC2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
SMILESCCCC(Nc1ccnc(NCC)n1)c1cccs1
InChIInChI=1S/C14H20N4S/c1-3-6-11(12-7-5-10-19-12)17-13-8-9-16-14(18-13)15-4-2/h5,7-11H,3-4,6H2,1-2H3,(H2,15,16,17,18)
InChIKeyPVLYLEVSEDIOJW-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.92
Rot. Bonds7

About 2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine

2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine (PubChem CID 80807159) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
PubChem CID80807159
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
SMILESCCCC(Nc1ccnc(NCC)n1)c1cccs1
InChIInChI=1S/C14H20N4S/c1-3-6-11(12-7-5-10-19-12)17-13-8-9-16-14(18-13)15-4-2/h5,7-11H,3-4,6H2,1-2H3,(H2,15,16,17,18)
InChIKeyPVLYLEVSEDIOJW-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80808164
2-N-ethyl-6-N-(1-thiophen-2-ylbutyl)pyridine-2,6-diamine
CID 80807390
2-N-ethyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80830294
6-methyl-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 54962999
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
6-ethoxy-N-(1-thiophen-2-ylbutyl)pyridin-2-amine
CID 63588984
2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyridine-2,4-diamine
CID 113367648
2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80960729
2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336493
5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80783214
3-N-(1-thiophen-2-ylbutyl)pyrazine-2,3-diamine
CID 102984016
5,6-diethyl-N-(1-thiophen-2-ylbutyl)-1,2,4-triazin-3-amine
CID 105362540

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine (CID 80807159) is 2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine is CCCC(Nc1ccnc(NCC)n1)c1cccs1.
What is the InChIKey of 2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine?
The InChIKey is PVLYLEVSEDIOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-3-6-11(12-7-5-10-19-12)17-13-8-9-16-14(18-13)15-4-2/h5,7-11H,3-4,6H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine?
2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80807159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).