6-(7-fluoroquinolin-3-yl)pyrimidine-2,4-diamine

C13H10FN5 — CID 155911358

IUPAC6-(7-fluoroquinolin-3-yl)pyrimidine-2,4-diamine
SMILESNc1cc(-c2cnc3cc(F)ccc3c2)nc(N)n1
InChIInChI=1S/C13H10FN5/c14-9-2-1-7-3-8(6-17-10(7)4-9)11-5-12(15)19-13(16)18-11/h1-6H,(H4,15,16,18,19)
InChIKeyCCFWXUQRFLIWDY-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.00
Rot. Bonds1

About 6-(7-fluoroquinolin-3-yl)pyrimidine-2,4-diamine

6-(7-fluoroquinolin-3-yl)pyrimidine-2,4-diamine (PubChem CID 155911358) has the molecular formula C13H10FN5 and a molecular weight of 255.26 g/mol. Its IUPAC name is 6-(7-fluoroquinolin-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(7-fluoroquinolin-3-yl)pyrimidine-2,4-diamine
PubChem CID155911358
Molecular FormulaC13H10FN5
Molecular Weight255.26 g/mol
Exact Mass255.09
IUPAC Name6-(7-fluoroquinolin-3-yl)pyrimidine-2,4-diamine
SMILESNc1cc(-c2cnc3cc(F)ccc3c2)nc(N)n1
InChIInChI=1S/C13H10FN5/c14-9-2-1-7-3-8(6-17-10(7)4-9)11-5-12(15)19-13(16)18-11/h1-6H,(H4,15,16,18,19)
InChIKeyCCFWXUQRFLIWDY-UHFFFAOYSA-N
XLogP2.00
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(7-fluoroquinolin-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(7-fluoroquinolin-3-yl)pyrimidine-2,4-diamine (CID 155911358) is 6-(7-fluoroquinolin-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(7-fluoroquinolin-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(7-fluoroquinolin-3-yl)pyrimidine-2,4-diamine is Nc1cc(-c2cnc3cc(F)ccc3c2)nc(N)n1.
What is the InChIKey of 6-(7-fluoroquinolin-3-yl)pyrimidine-2,4-diamine?
The InChIKey is CCFWXUQRFLIWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5/c14-9-2-1-7-3-8(6-17-10(7)4-9)11-5-12(15)19-13(16)18-11/h1-6H,(H4,15,16,18,19).
What are the key properties of 6-(7-fluoroquinolin-3-yl)pyrimidine-2,4-diamine?
6-(7-fluoroquinolin-3-yl)pyrimidine-2,4-diamine has a molecular weight of 255.26 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-fluoroquinolin-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 155911358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).