4-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine

C17H23N5 — CID 162673223

IUPAC4-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine
SMILESCC1CCN(c2ccnc(NCCc3ccccn3)n2)CC1
InChIInChI=1S/C17H23N5/c1-14-7-12-22(13-8-14)16-6-11-20-17(21-16)19-10-5-15-4-2-3-9-18-15/h2-4,6,9,11,14H,5,7-8,10,12-13H2,1H3,(H,19,20,21)
InChIKeyOXQFDJKKCXBMRN-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.76
Rot. Bonds5

About 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine

4-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine (PubChem CID 162673223) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine
PubChem CID162673223
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name4-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine
SMILESCC1CCN(c2ccnc(NCCc3ccccn3)n2)CC1
InChIInChI=1S/C17H23N5/c1-14-7-12-22(13-8-14)16-6-11-20-17(21-16)19-10-5-15-4-2-3-9-18-15/h2-4,6,9,11,14H,5,7-8,10,12-13H2,1H3,(H,19,20,21)
InChIKeyOXQFDJKKCXBMRN-UHFFFAOYSA-N
XLogP2.76
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine (CID 162673223) is 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine is CC1CCN(c2ccnc(NCCc3ccccn3)n2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine?
The InChIKey is OXQFDJKKCXBMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-14-7-12-22(13-8-14)16-6-11-20-17(21-16)19-10-5-15-4-2-3-9-18-15/h2-4,6,9,11,14H,5,7-8,10,12-13H2,1H3,(H,19,20,21).
What are the key properties of 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine?
4-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine has a molecular weight of 297.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-N-(2-pyridin-2-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 162673223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).