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

C15H22N4S — CID 80807668

IUPAC5-ethyl-6-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NC(c1cccs1)C(C)C
InChIInChI=1S/C15H22N4S/c1-5-11-14(16-4)17-9-18-15(11)19-13(10(2)3)12-7-6-8-20-12/h6-10,13H,5H2,1-4H3,(H2,16,17,18,19)
InChIKeyIRVSSFLVFNZOOV-UHFFFAOYSA-N
MW290.44 g/mol
LogP3.95
Rot. Bonds6

About 5-ethyl-6-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine

5-ethyl-6-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine (PubChem CID 80807668) has the molecular formula C15H22N4S and a molecular weight of 290.44 g/mol. Its IUPAC name is 5-ethyl-6-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-6-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
PubChem CID80807668
Molecular FormulaC15H22N4S
Molecular Weight290.44 g/mol
Exact Mass290.16
IUPAC Name5-ethyl-6-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NC(c1cccs1)C(C)C
InChIInChI=1S/C15H22N4S/c1-5-11-14(16-4)17-9-18-15(11)19-13(10(2)3)12-7-6-8-20-12/h6-10,13H,5H2,1-4H3,(H2,16,17,18,19)
InChIKeyIRVSSFLVFNZOOV-UHFFFAOYSA-N
XLogP3.95
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-6-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine (CID 80807668) is 5-ethyl-6-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-6-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-6-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine is CCc1c(NC)ncnc1NC(c1cccs1)C(C)C.
What is the InChIKey of 5-ethyl-6-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine?
The InChIKey is IRVSSFLVFNZOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S/c1-5-11-14(16-4)17-9-18-15(11)19-13(10(2)3)12-7-6-8-20-12/h6-10,13H,5H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 5-ethyl-6-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine?
5-ethyl-6-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine has a molecular weight of 290.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80807668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).