4-pyridin-3-yl-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine

C20H21N5O — CID 72903898

IUPAC4-pyridin-3-yl-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
SMILESc1ccc(COC2CCN(c3nccc(-c4cccnc4)n3)CC2)nc1
InChIInChI=1S/C20H21N5O/c1-2-10-22-17(5-1)15-26-18-7-12-25(13-8-18)20-23-11-6-19(24-20)16-4-3-9-21-14-16/h1-6,9-11,14,18H,7-8,12-13,15H2
InChIKeyTZHSSZDBWVURHJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.12
Rot. Bonds5

About 4-pyridin-3-yl-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine

4-pyridin-3-yl-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine (PubChem CID 72903898) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-pyridin-3-yl-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-pyridin-3-yl-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
PubChem CID72903898
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-pyridin-3-yl-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine
SMILESc1ccc(COC2CCN(c3nccc(-c4cccnc4)n3)CC2)nc1
InChIInChI=1S/C20H21N5O/c1-2-10-22-17(5-1)15-26-18-7-12-25(13-8-18)20-23-11-6-19(24-20)16-4-3-9-21-14-16/h1-6,9-11,14,18H,7-8,12-13,15H2
InChIKeyTZHSSZDBWVURHJ-UHFFFAOYSA-N
XLogP3.12
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-pyridin-3-yl-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine (CID 72903898) is 4-pyridin-3-yl-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-pyridin-3-yl-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-pyridin-3-yl-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine is c1ccc(COC2CCN(c3nccc(-c4cccnc4)n3)CC2)nc1.
What is the InChIKey of 4-pyridin-3-yl-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine?
The InChIKey is TZHSSZDBWVURHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-2-10-22-17(5-1)15-26-18-7-12-25(13-8-18)20-23-11-6-19(24-20)16-4-3-9-21-14-16/h1-6,9-11,14,18H,7-8,12-13,15H2.
What are the key properties of 4-pyridin-3-yl-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine?
4-pyridin-3-yl-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine has a molecular weight of 347.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-2-[4-(pyridin-2-ylmethoxy)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 72903898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).