5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-2-carbonitrile

C24H19FN6 — CID 58521805

IUPAC5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-2-carbonitrile
SMILESC[C@H](Cc1nc(Cc2cnccn2)cc(-c2ccc(C#N)nc2)n1)c1ccc(F)cc1
InChIInChI=1S/C24H19FN6/c1-16(17-2-5-19(25)6-3-17)10-24-30-21(11-22-15-27-8-9-28-22)12-23(31-24)18-4-7-20(13-26)29-14-18/h2-9,12,14-16H,10-11H2,1H3/t16-/m1/s1
InChIKeyMPCDUGKTYQZKBX-MRXNPFEDSA-N
MW410.46 g/mol
LogP4.28
Rot. Bonds6

About 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-2-carbonitrile

5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-2-carbonitrile (PubChem CID 58521805) has the molecular formula C24H19FN6 and a molecular weight of 410.46 g/mol. Its IUPAC name is 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-2-carbonitrile
PubChem CID58521805
Molecular FormulaC24H19FN6
Molecular Weight410.46 g/mol
Exact Mass410.17
IUPAC Name5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-2-carbonitrile
SMILESC[C@H](Cc1nc(Cc2cnccn2)cc(-c2ccc(C#N)nc2)n1)c1ccc(F)cc1
InChIInChI=1S/C24H19FN6/c1-16(17-2-5-19(25)6-3-17)10-24-30-21(11-22-15-27-8-9-28-22)12-23(31-24)18-4-7-20(13-26)29-14-18/h2-9,12,14-16H,10-11H2,1H3/t16-/m1/s1
InChIKeyMPCDUGKTYQZKBX-MRXNPFEDSA-N
XLogP4.28
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-2-carbonitrile (CID 58521805) is 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-2-carbonitrile is C[C@H](Cc1nc(Cc2cnccn2)cc(-c2ccc(C#N)nc2)n1)c1ccc(F)cc1.
What is the InChIKey of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-2-carbonitrile?
The InChIKey is MPCDUGKTYQZKBX-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H19FN6/c1-16(17-2-5-19(25)6-3-17)10-24-30-21(11-22-15-27-8-9-28-22)12-23(31-24)18-4-7-20(13-26)29-14-18/h2-9,12,14-16H,10-11H2,1H3/t16-/m1/s1.
What are the key properties of 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-2-carbonitrile?
5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-2-carbonitrile has a molecular weight of 410.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)pyrimidin-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 58521805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).