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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Related Compounds

6-hydrazinyl-N-(2-methyl-1-thiophen-2-ylpropyl)-5-propan-2-ylpyrimidin-4-amine
CID 80901918
5-ethyl-4-N-[1-(furan-2-yl)propan-2-yl]-6-N-methylpyrimidine-4,6-diamine
CID 80802948
5-ethyl-4-N-hexan-2-yl-6-N-methylpyrimidine-4,6-diamine
CID 80822887
5-ethyl-6-N-propyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80813455
6-chloro-N-(2-methyl-1-thiophen-2-ylpropyl)-5-nitropyrimidin-4-amine
CID 62101194
5-fluoro-2-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807251
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-6-ethyl-5-fluoropyrimidin-4-amine
CID 133419353
6-N-methyl-4-N-propan-2-yl-5-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80780237
5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807669
6-N-ethyl-5-propyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80783925
2-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80801346
3-methyl-2-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,5-diamine
CID 62477928

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).