2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine

C21H23N5 — CID 110240122

IUPAC2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine
SMILESCN1CCCCC1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1
InChIInChI=1S/C21H23N5/c1-26-13-6-5-11-19(26)21-24-18(16-8-7-12-22-15-16)14-20(25-21)23-17-9-3-2-4-10-17/h2-4,7-10,12,14-15,19H,5-6,11,13H2,1H3,(H,23,24,25)
InChIKeyTVHNMYQZXZGOCY-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.44
Rot. Bonds4

About 2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine

2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine (PubChem CID 110240122) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine
PubChem CID110240122
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine
SMILESCN1CCCCC1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1
InChIInChI=1S/C21H23N5/c1-26-13-6-5-11-19(26)21-24-18(16-8-7-12-22-15-16)14-20(25-21)23-17-9-3-2-4-10-17/h2-4,7-10,12,14-15,19H,5-6,11,13H2,1H3,(H,23,24,25)
InChIKeyTVHNMYQZXZGOCY-UHFFFAOYSA-N
XLogP4.44
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine (CID 110240122) is 2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine is CN1CCCCC1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is TVHNMYQZXZGOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-26-13-6-5-11-19(26)21-24-18(16-8-7-12-22-15-16)14-20(25-21)23-17-9-3-2-4-10-17/h2-4,7-10,12,14-15,19H,5-6,11,13H2,1H3,(H,23,24,25).
What are the key properties of 2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine?
2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 345.45 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)-N-phenyl-6-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 110240122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).