5-chloro-4-[4-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]-2-methylpyrimidine

C20H25Cl2N5 — CID 25014375

IUPAC5-chloro-4-[4-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]-2-methylpyrimidine
SMILESCc1ncc(Cl)c(N2CCC(C3CCN(c4ccc(Cl)cn4)CC3)CC2)n1
InChIInChI=1S/C20H25Cl2N5/c1-14-23-13-18(22)20(25-14)27-10-6-16(7-11-27)15-4-8-26(9-5-15)19-3-2-17(21)12-24-19/h2-3,12-13,15-16H,4-11H2,1H3
InChIKeySTQHMVQJCXDEDO-UHFFFAOYSA-N
MW406.36 g/mol
LogP4.62
Rot. Bonds3

About 5-chloro-4-[4-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]-2-methylpyrimidine

5-chloro-4-[4-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]-2-methylpyrimidine (PubChem CID 25014375) has the molecular formula C20H25Cl2N5 and a molecular weight of 406.36 g/mol. Its IUPAC name is 5-chloro-4-[4-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name5-chloro-4-[4-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]-2-methylpyrimidine
PubChem CID25014375
Molecular FormulaC20H25Cl2N5
Molecular Weight406.36 g/mol
Exact Mass405.15
IUPAC Name5-chloro-4-[4-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]-2-methylpyrimidine
SMILESCc1ncc(Cl)c(N2CCC(C3CCN(c4ccc(Cl)cn4)CC3)CC2)n1
InChIInChI=1S/C20H25Cl2N5/c1-14-23-13-18(22)20(25-14)27-10-6-16(7-11-27)15-4-8-26(9-5-15)19-3-2-17(21)12-24-19/h2-3,12-13,15-16H,4-11H2,1H3
InChIKeySTQHMVQJCXDEDO-UHFFFAOYSA-N
XLogP4.62
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]-2-methylpyrimidine?
The IUPAC name of 5-chloro-4-[4-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]-2-methylpyrimidine (CID 25014375) is 5-chloro-4-[4-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 5-chloro-4-[4-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 5-chloro-4-[4-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]-2-methylpyrimidine is Cc1ncc(Cl)c(N2CCC(C3CCN(c4ccc(Cl)cn4)CC3)CC2)n1.
What is the InChIKey of 5-chloro-4-[4-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]-2-methylpyrimidine?
The InChIKey is STQHMVQJCXDEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N5/c1-14-23-13-18(22)20(25-14)27-10-6-16(7-11-27)15-4-8-26(9-5-15)19-3-2-17(21)12-24-19/h2-3,12-13,15-16H,4-11H2,1H3.
What are the key properties of 5-chloro-4-[4-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]-2-methylpyrimidine?
5-chloro-4-[4-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]-2-methylpyrimidine has a molecular weight of 406.36 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]piperidin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 25014375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).