5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine

C13H16FN3 — CID 103765115

IUPAC5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine
SMILESCc1ncnc(NC2C3C4CCC(C4)C23)c1F
InChIInChI=1S/C13H16FN3/c1-6-11(14)13(16-5-15-6)17-12-9-7-2-3-8(4-7)10(9)12/h5,7-10,12H,2-4H2,1H3,(H,15,16,17)
InChIKeyMVCDSYITQHLBQL-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.38
Rot. Bonds2

About 5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine

5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine (PubChem CID 103765115) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine
PubChem CID103765115
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine
SMILESCc1ncnc(NC2C3C4CCC(C4)C23)c1F
InChIInChI=1S/C13H16FN3/c1-6-11(14)13(16-5-15-6)17-12-9-7-2-3-8(4-7)10(9)12/h5,7-10,12H,2-4H2,1H3,(H,15,16,17)
InChIKeyMVCDSYITQHLBQL-UHFFFAOYSA-N
XLogP2.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine (CID 103765115) is 5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine is Cc1ncnc(NC2C3C4CCC(C4)C23)c1F.
What is the InChIKey of 5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine?
The InChIKey is MVCDSYITQHLBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-6-11(14)13(16-5-15-6)17-12-9-7-2-3-8(4-7)10(9)12/h5,7-10,12H,2-4H2,1H3,(H,15,16,17).
What are the key properties of 5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine?
5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine has a molecular weight of 233.29 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pyrimidin-4-amine is sourced from PubChem (CID 103765115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).