4-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methyl-5-pyridin-4-ylpyrimidine

C23H27N5O2 — CID 110213966

IUPAC4-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methyl-5-pyridin-4-ylpyrimidine
SMILESCOc1ccnc(CN2CCCC(c3nc(C)ncc3-c3ccncc3)C2)c1OC
InChIInChI=1S/C23H27N5O2/c1-16-26-13-19(17-6-9-24-10-7-17)22(27-16)18-5-4-12-28(14-18)15-20-23(30-3)21(29-2)8-11-25-20/h6-11,13,18H,4-5,12,14-15H2,1-3H3
InChIKeyYWBXXEJLLFHISX-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.64
Rot. Bonds6

About 4-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methyl-5-pyridin-4-ylpyrimidine

4-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methyl-5-pyridin-4-ylpyrimidine (PubChem CID 110213966) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methyl-5-pyridin-4-ylpyrimidine.

Molecular Properties

Compound Name4-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methyl-5-pyridin-4-ylpyrimidine
PubChem CID110213966
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name4-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methyl-5-pyridin-4-ylpyrimidine
SMILESCOc1ccnc(CN2CCCC(c3nc(C)ncc3-c3ccncc3)C2)c1OC
InChIInChI=1S/C23H27N5O2/c1-16-26-13-19(17-6-9-24-10-7-17)22(27-16)18-5-4-12-28(14-18)15-20-23(30-3)21(29-2)8-11-25-20/h6-11,13,18H,4-5,12,14-15H2,1-3H3
InChIKeyYWBXXEJLLFHISX-UHFFFAOYSA-N
XLogP3.64
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methyl-5-pyridin-4-ylpyrimidine?
The IUPAC name of 4-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methyl-5-pyridin-4-ylpyrimidine (CID 110213966) is 4-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methyl-5-pyridin-4-ylpyrimidine.
What is the SMILES notation for 4-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methyl-5-pyridin-4-ylpyrimidine?
The canonical SMILES for 4-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methyl-5-pyridin-4-ylpyrimidine is COc1ccnc(CN2CCCC(c3nc(C)ncc3-c3ccncc3)C2)c1OC.
What is the InChIKey of 4-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methyl-5-pyridin-4-ylpyrimidine?
The InChIKey is YWBXXEJLLFHISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16-26-13-19(17-6-9-24-10-7-17)22(27-16)18-5-4-12-28(14-18)15-20-23(30-3)21(29-2)8-11-25-20/h6-11,13,18H,4-5,12,14-15H2,1-3H3.
What are the key properties of 4-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methyl-5-pyridin-4-ylpyrimidine?
4-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methyl-5-pyridin-4-ylpyrimidine has a molecular weight of 405.50 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]-2-methyl-5-pyridin-4-ylpyrimidine is sourced from PubChem (CID 110213966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).