5-(6-cyclobutylthieno[2,3-d]pyrimidin-2-yl)-2-N-methylpyridine-2,3-diamine;tetrafluoromethane

C17H17F4N5S — CID 172582587

IUPAC5-(6-cyclobutylthieno[2,3-d]pyrimidin-2-yl)-2-N-methylpyridine-2,3-diamine;tetrafluoromethane
SMILESCNc1ncc(-c2ncc3cc(C4CCC4)sc3n2)cc1N.FC(F)(F)F
InChIInChI=1S/C16H17N5S.CF4/c1-18-15-12(17)5-10(7-20-15)14-19-8-11-6-13(9-3-2-4-9)22-16(11)21-14;2-1(3,4)5/h5-9H,2-4,17H2,1H3,(H,18,20);
InChIKeyQALWAIUBLDRTOA-UHFFFAOYSA-N
MW399.42 g/mol
LogP5.12
Rot. Bonds3

About 5-(6-cyclobutylthieno[2,3-d]pyrimidin-2-yl)-2-N-methylpyridine-2,3-diamine;tetrafluoromethane

5-(6-cyclobutylthieno[2,3-d]pyrimidin-2-yl)-2-N-methylpyridine-2,3-diamine;tetrafluoromethane (PubChem CID 172582587) has the molecular formula C17H17F4N5S and a molecular weight of 399.42 g/mol. Its IUPAC name is 5-(6-cyclobutylthieno[2,3-d]pyrimidin-2-yl)-2-N-methylpyridine-2,3-diamine;tetrafluoromethane.

Molecular Properties

Compound Name5-(6-cyclobutylthieno[2,3-d]pyrimidin-2-yl)-2-N-methylpyridine-2,3-diamine;tetrafluoromethane
PubChem CID172582587
Molecular FormulaC17H17F4N5S
Molecular Weight399.42 g/mol
Exact Mass399.11
IUPAC Name5-(6-cyclobutylthieno[2,3-d]pyrimidin-2-yl)-2-N-methylpyridine-2,3-diamine;tetrafluoromethane
SMILESCNc1ncc(-c2ncc3cc(C4CCC4)sc3n2)cc1N.FC(F)(F)F
InChIInChI=1S/C16H17N5S.CF4/c1-18-15-12(17)5-10(7-20-15)14-19-8-11-6-13(9-3-2-4-9)22-16(11)21-14;2-1(3,4)5/h5-9H,2-4,17H2,1H3,(H,18,20);
InChIKeyQALWAIUBLDRTOA-UHFFFAOYSA-N
XLogP5.12
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.42
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(6-cyclobutylthieno[2,3-d]pyrimidin-2-yl)-2-N-methylpyridine-2,3-diamine;tetrafluoromethane with MolForge

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Related Compounds

6-cyclobutyl-2-(2-methyltriazolo[4,5-b]pyridin-6-yl)thieno[2,3-d]pyrimidine
CID 172582732
3-(methyliminomethyl)-5-[6-[3-(trifluoromethyl)cyclobutyl]thieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine
CID 172582405
methanol;2-(2-methylpyrazolo[3,4-b]pyridin-5-yl)-6-[3-(trifluoromethyl)cyclobutyl]thieno[2,3-d]pyrimidine
CID 172582355
5-fluoro-2-N-methylpyridine-2,3-diamine
CID 84648615
4-cyclopropyl-2-N-methyl-3-(trifluoromethyl)pyridine-2,6-diamine
CID 167254970
6-cyclobutylthieno[2,3-d]pyrimidin-4-amine
CID 142150583
2-N-(oxetan-2-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridine-2,3-diamine
CID 170428256
5-ethenyl-2-N-methylpyridine-2,3-diamine
CID 74890327
2-cyclobutyl-6-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)thieno[2,3-b]pyridine;difluoromethane
CID 172582581
5-cyclobutyl-2-(methylamino)pyridine-3-carboxamide
CID 137437719
2-cyclobutyl-6-(2-methylpyrazolo[3,4-b]pyridin-5-yl)thieno[2,3-b]pyridine;methanol
CID 172582685
6-[cyclopropyl(difluoro)methyl]-3-N-methylpyridazine-3,4-diamine
CID 167506654

Frequently Asked Questions

What is the IUPAC name of 5-(6-cyclobutylthieno[2,3-d]pyrimidin-2-yl)-2-N-methylpyridine-2,3-diamine;tetrafluoromethane?
The IUPAC name of 5-(6-cyclobutylthieno[2,3-d]pyrimidin-2-yl)-2-N-methylpyridine-2,3-diamine;tetrafluoromethane (CID 172582587) is 5-(6-cyclobutylthieno[2,3-d]pyrimidin-2-yl)-2-N-methylpyridine-2,3-diamine;tetrafluoromethane.
What is the SMILES notation for 5-(6-cyclobutylthieno[2,3-d]pyrimidin-2-yl)-2-N-methylpyridine-2,3-diamine;tetrafluoromethane?
The canonical SMILES for 5-(6-cyclobutylthieno[2,3-d]pyrimidin-2-yl)-2-N-methylpyridine-2,3-diamine;tetrafluoromethane is CNc1ncc(-c2ncc3cc(C4CCC4)sc3n2)cc1N.FC(F)(F)F.
What is the InChIKey of 5-(6-cyclobutylthieno[2,3-d]pyrimidin-2-yl)-2-N-methylpyridine-2,3-diamine;tetrafluoromethane?
The InChIKey is QALWAIUBLDRTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S.CF4/c1-18-15-12(17)5-10(7-20-15)14-19-8-11-6-13(9-3-2-4-9)22-16(11)21-14;2-1(3,4)5/h5-9H,2-4,17H2,1H3,(H,18,20);.
What are the key properties of 5-(6-cyclobutylthieno[2,3-d]pyrimidin-2-yl)-2-N-methylpyridine-2,3-diamine;tetrafluoromethane?
5-(6-cyclobutylthieno[2,3-d]pyrimidin-2-yl)-2-N-methylpyridine-2,3-diamine;tetrafluoromethane has a molecular weight of 399.42 g/mol, XLogP of 5.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-cyclobutylthieno[2,3-d]pyrimidin-2-yl)-2-N-methylpyridine-2,3-diamine;tetrafluoromethane is sourced from PubChem (CID 172582587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).