5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine

C13H16FN3OS — CID 80872490

IUPAC5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine
SMILESCCCNc1ncc(F)c(OCCc2cccs2)n1
InChIInChI=1S/C13H16FN3OS/c1-2-6-15-13-16-9-11(14)12(17-13)18-7-5-10-4-3-8-19-10/h3-4,8-9H,2,5-7H2,1H3,(H,15,16,17)
InChIKeyHYQJPBOCKXEASE-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.12
Rot. Bonds7

About 5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine

5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine (PubChem CID 80872490) has the molecular formula C13H16FN3OS and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine
PubChem CID80872490
Molecular FormulaC13H16FN3OS
Molecular Weight281.36 g/mol
Exact Mass281.10
IUPAC Name5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine
SMILESCCCNc1ncc(F)c(OCCc2cccs2)n1
InChIInChI=1S/C13H16FN3OS/c1-2-6-15-13-16-9-11(14)12(17-13)18-7-5-10-4-3-8-19-10/h3-4,8-9H,2,5-7H2,1H3,(H,15,16,17)
InChIKeyHYQJPBOCKXEASE-UHFFFAOYSA-N
XLogP3.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-5-fluoro-2-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80799062
3-[5-fluoro-2-(propylamino)pyrimidin-4-yl]oxypropan-1-ol
CID 80866703
3,5-dichloro-N-propyl-6-(2-thiophen-2-ylethoxy)pyridin-2-amine
CID 102760896
5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
CID 80869263
5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 80870299
4-(2,3-difluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 80879085
4-(2,3-dimethylphenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 80864481
2-N-ethyl-5-fluoro-4-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80781911
5-fluoro-2-N-propyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80783214
4-cyclobutyloxy-5-fluoro-N-propylpyrimidin-2-amine
CID 80872871
5-fluoro-4-(oxan-4-yloxy)-N-propylpyrimidin-2-amine
CID 80872902
N-ethyl-6-methyl-4-(2-thiophen-2-ylethoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332290

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine (CID 80872490) is 5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine is CCCNc1ncc(F)c(OCCc2cccs2)n1.
What is the InChIKey of 5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine?
The InChIKey is HYQJPBOCKXEASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3OS/c1-2-6-15-13-16-9-11(14)12(17-13)18-7-5-10-4-3-8-19-10/h3-4,8-9H,2,5-7H2,1H3,(H,15,16,17).
What are the key properties of 5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine?
5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine has a molecular weight of 281.36 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-propyl-4-(2-thiophen-2-ylethoxy)pyrimidin-2-amine is sourced from PubChem (CID 80872490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).