2-[4-[6-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridin-3-amine

C25H30FN7 — CID 71216213

IUPAC2-[4-[6-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridin-3-amine
SMILESCc1cc(-c2cc(N3CCN(c4ncccc4N)CC3)nc(N3CCCCC3)n2)ccc1F
InChIInChI=1S/C25H30FN7/c1-18-16-19(7-8-20(18)26)22-17-23(30-25(29-22)33-10-3-2-4-11-33)31-12-14-32(15-13-31)24-21(27)6-5-9-28-24/h5-9,16-17H,2-4,10-15,27H2,1H3
InChIKeyMPUMUPTWDOJTRO-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.89
Rot. Bonds4

About 2-[4-[6-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridin-3-amine

2-[4-[6-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridin-3-amine (PubChem CID 71216213) has the molecular formula C25H30FN7 and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-[4-[6-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[4-[6-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridin-3-amine
PubChem CID71216213
Molecular FormulaC25H30FN7
Molecular Weight447.56 g/mol
Exact Mass447.25
IUPAC Name2-[4-[6-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridin-3-amine
SMILESCc1cc(-c2cc(N3CCN(c4ncccc4N)CC3)nc(N3CCCCC3)n2)ccc1F
InChIInChI=1S/C25H30FN7/c1-18-16-19(7-8-20(18)26)22-17-23(30-25(29-22)33-10-3-2-4-11-33)31-12-14-32(15-13-31)24-21(27)6-5-9-28-24/h5-9,16-17H,2-4,10-15,27H2,1H3
InChIKeyMPUMUPTWDOJTRO-UHFFFAOYSA-N
XLogP3.89
TPSA74.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridin-3-amine?
The IUPAC name of 2-[4-[6-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridin-3-amine (CID 71216213) is 2-[4-[6-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridin-3-amine.
What is the SMILES notation for 2-[4-[6-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridin-3-amine?
The canonical SMILES for 2-[4-[6-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridin-3-amine is Cc1cc(-c2cc(N3CCN(c4ncccc4N)CC3)nc(N3CCCCC3)n2)ccc1F.
What is the InChIKey of 2-[4-[6-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridin-3-amine?
The InChIKey is MPUMUPTWDOJTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN7/c1-18-16-19(7-8-20(18)26)22-17-23(30-25(29-22)33-10-3-2-4-11-33)31-12-14-32(15-13-31)24-21(27)6-5-9-28-24/h5-9,16-17H,2-4,10-15,27H2,1H3.
What are the key properties of 2-[4-[6-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridin-3-amine?
2-[4-[6-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridin-3-amine has a molecular weight of 447.56 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-fluoro-3-methylphenyl)-2-piperidin-1-ylpyrimidin-4-yl]piperazin-1-yl]pyridin-3-amine is sourced from PubChem (CID 71216213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).