4-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine

C17H17FN6 — CID 133446354

IUPAC4-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESNc1c(NC2CCCc3ccc(F)cc32)ncnc1-n1cccn1
InChIInChI=1S/C17H17FN6/c18-12-6-5-11-3-1-4-14(13(11)9-12)23-16-15(19)17(21-10-20-16)24-8-2-7-22-24/h2,5-10,14H,1,3-4,19H2,(H,20,21,23)
InChIKeyXGASCIBQZOJTBJ-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.87
Rot. Bonds3

About 4-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine

4-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine (PubChem CID 133446354) has the molecular formula C17H17FN6 and a molecular weight of 324.36 g/mol. Its IUPAC name is 4-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
PubChem CID133446354
Molecular FormulaC17H17FN6
Molecular Weight324.36 g/mol
Exact Mass324.15
IUPAC Name4-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine
SMILESNc1c(NC2CCCc3ccc(F)cc32)ncnc1-n1cccn1
InChIInChI=1S/C17H17FN6/c18-12-6-5-11-3-1-4-14(13(11)9-12)23-16-15(19)17(21-10-20-16)24-8-2-7-22-24/h2,5-10,14H,1,3-4,19H2,(H,20,21,23)
InChIKeyXGASCIBQZOJTBJ-UHFFFAOYSA-N
XLogP2.87
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine (CID 133446354) is 4-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine is Nc1c(NC2CCCc3ccc(F)cc32)ncnc1-n1cccn1.
What is the InChIKey of 4-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine?
The InChIKey is XGASCIBQZOJTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6/c18-12-6-5-11-3-1-4-14(13(11)9-12)23-16-15(19)17(21-10-20-16)24-8-2-7-22-24/h2,5-10,14H,1,3-4,19H2,(H,20,21,23).
What are the key properties of 4-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine?
4-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine has a molecular weight of 324.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-6-pyrazol-1-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 133446354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).