4-piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine

C19H19N5 — CID 4187625

IUPAC4-piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
SMILESc1cncc(-c2cc(N3CCCCC3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C19H19N5/c1-2-11-24(12-3-1)18-13-17(16-5-4-8-21-14-16)22-19(23-18)15-6-9-20-10-7-15/h4-10,13-14H,1-3,11-12H2
InChIKeyGDTPLPCMDMBXNI-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.59
Rot. Bonds3

About 4-piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine

4-piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine (PubChem CID 4187625) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
PubChem CID4187625
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name4-piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine
SMILESc1cncc(-c2cc(N3CCCCC3)nc(-c3ccncc3)n2)c1
InChIInChI=1S/C19H19N5/c1-2-11-24(12-3-1)18-13-17(16-5-4-8-21-14-16)22-19(23-18)15-6-9-20-10-7-15/h4-10,13-14H,1-3,11-12H2
InChIKeyGDTPLPCMDMBXNI-UHFFFAOYSA-N
XLogP3.59
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine?
The IUPAC name of 4-piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine (CID 4187625) is 4-piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine is c1cncc(-c2cc(N3CCCCC3)nc(-c3ccncc3)n2)c1.
What is the InChIKey of 4-piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine?
The InChIKey is GDTPLPCMDMBXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-2-11-24(12-3-1)18-13-17(16-5-4-8-21-14-16)22-19(23-18)15-6-9-20-10-7-15/h4-10,13-14H,1-3,11-12H2.
What are the key properties of 4-piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine?
4-piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine has a molecular weight of 317.40 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-6-pyridin-3-yl-2-pyridin-4-ylpyrimidine is sourced from PubChem (CID 4187625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).