5-[2-fluoro-4-[2-[2-(methylamino)pyrimidin-5-yl]phenyl]phenyl]pyrimidin-2-amine

C21H17FN6 — CID 90329754

IUPAC5-[2-fluoro-4-[2-[2-(methylamino)pyrimidin-5-yl]phenyl]phenyl]pyrimidin-2-amine
SMILESCNc1ncc(-c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)cn1
InChIInChI=1S/C21H17FN6/c1-24-21-27-11-14(12-28-21)17-5-3-2-4-16(17)13-6-7-18(19(22)8-13)15-9-25-20(23)26-10-15/h2-12H,1H3,(H2,23,25,26)(H,24,27,28)
InChIKeyYSUVBDUAGKYEGB-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.03
Rot. Bonds4

About 5-[2-fluoro-4-[2-[2-(methylamino)pyrimidin-5-yl]phenyl]phenyl]pyrimidin-2-amine

5-[2-fluoro-4-[2-[2-(methylamino)pyrimidin-5-yl]phenyl]phenyl]pyrimidin-2-amine (PubChem CID 90329754) has the molecular formula C21H17FN6 and a molecular weight of 372.41 g/mol. Its IUPAC name is 5-[2-fluoro-4-[2-[2-(methylamino)pyrimidin-5-yl]phenyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-[2-[2-(methylamino)pyrimidin-5-yl]phenyl]phenyl]pyrimidin-2-amine
PubChem CID90329754
Molecular FormulaC21H17FN6
Molecular Weight372.41 g/mol
Exact Mass372.15
IUPAC Name5-[2-fluoro-4-[2-[2-(methylamino)pyrimidin-5-yl]phenyl]phenyl]pyrimidin-2-amine
SMILESCNc1ncc(-c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)cn1
InChIInChI=1S/C21H17FN6/c1-24-21-27-11-14(12-28-21)17-5-3-2-4-16(17)13-6-7-18(19(22)8-13)15-9-25-20(23)26-10-15/h2-12H,1H3,(H2,23,25,26)(H,24,27,28)
InChIKeyYSUVBDUAGKYEGB-UHFFFAOYSA-N
XLogP4.03
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[2-[2-(methylamino)pyrimidin-5-yl]phenyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-fluoro-4-[2-[2-(methylamino)pyrimidin-5-yl]phenyl]phenyl]pyrimidin-2-amine (CID 90329754) is 5-[2-fluoro-4-[2-[2-(methylamino)pyrimidin-5-yl]phenyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-[2-[2-(methylamino)pyrimidin-5-yl]phenyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-[2-[2-(methylamino)pyrimidin-5-yl]phenyl]phenyl]pyrimidin-2-amine is CNc1ncc(-c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)cn1.
What is the InChIKey of 5-[2-fluoro-4-[2-[2-(methylamino)pyrimidin-5-yl]phenyl]phenyl]pyrimidin-2-amine?
The InChIKey is YSUVBDUAGKYEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6/c1-24-21-27-11-14(12-28-21)17-5-3-2-4-16(17)13-6-7-18(19(22)8-13)15-9-25-20(23)26-10-15/h2-12H,1H3,(H2,23,25,26)(H,24,27,28).
What are the key properties of 5-[2-fluoro-4-[2-[2-(methylamino)pyrimidin-5-yl]phenyl]phenyl]pyrimidin-2-amine?
5-[2-fluoro-4-[2-[2-(methylamino)pyrimidin-5-yl]phenyl]phenyl]pyrimidin-2-amine has a molecular weight of 372.41 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[2-[2-(methylamino)pyrimidin-5-yl]phenyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 90329754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).