5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine

C15H21FN4S — CID 80783214

IUPAC5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC(CCC)c2cccs2)n1
InChIInChI=1S/C15H21FN4S/c1-3-6-12(13-7-5-9-21-13)19-14-11(16)10-18-15(20-14)17-8-4-2/h5,7,9-10,12H,3-4,6,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyUTPHRZQKYKHUTD-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.45
Rot. Bonds8

About 5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine

5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine (PubChem CID 80783214) has the molecular formula C15H21FN4S and a molecular weight of 308.43 g/mol. Its IUPAC name is 5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
PubChem CID80783214
Molecular FormulaC15H21FN4S
Molecular Weight308.43 g/mol
Exact Mass308.15
IUPAC Name5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
SMILESCCCNc1ncc(F)c(NC(CCC)c2cccs2)n1
InChIInChI=1S/C15H21FN4S/c1-3-6-12(13-7-5-9-21-13)19-14-11(16)10-18-15(20-14)17-8-4-2/h5,7,9-10,12H,3-4,6,8H2,1-2H3,(H2,17,18,19,20)
InChIKeyUTPHRZQKYKHUTD-UHFFFAOYSA-N
XLogP4.45
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-ethyl-5-fluoro-4-N-(1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807510
2-N,5-dimethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807804
5-bromo-2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807318
5-fluoro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine
CID 106028826
4-N-butan-2-yl-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80765731
5-fluoro-4-N-(2-methylpentan-3-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80804122
5-fluoro-4-N-[1-(2-methylphenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80784565
2-N-ethyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807159
5-fluoro-4-N-[1-(3-fluorophenyl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80783798
5-fluoro-2-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807251
4-N-(1-cyclopropylethyl)-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 80781382
2-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80849132

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine (CID 80783214) is 5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine is CCCNc1ncc(F)c(NC(CCC)c2cccs2)n1.
What is the InChIKey of 5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine?
The InChIKey is UTPHRZQKYKHUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4S/c1-3-6-12(13-7-5-9-21-13)19-14-11(16)10-18-15(20-14)17-8-4-2/h5,7,9-10,12H,3-4,6,8H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine?
5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine has a molecular weight of 308.43 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80783214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).