5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine

C15H17Cl2N5O — CID 133465592

IUPAC5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine
SMILESCOc1ncc(Cl)c(N2CCN(Cc3ccc(Cl)cn3)CC2)n1
InChIInChI=1S/C15H17Cl2N5O/c1-23-15-19-9-13(17)14(20-15)22-6-4-21(5-7-22)10-12-3-2-11(16)8-18-12/h2-3,8-9H,4-7,10H2,1H3
InChIKeyVCRYETBUDLTNTM-UHFFFAOYSA-N
MW354.24 g/mol
LogP2.51
Rot. Bonds4

About 5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine

5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine (PubChem CID 133465592) has the molecular formula C15H17Cl2N5O and a molecular weight of 354.24 g/mol. Its IUPAC name is 5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine.

Molecular Properties

Compound Name5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine
PubChem CID133465592
Molecular FormulaC15H17Cl2N5O
Molecular Weight354.24 g/mol
Exact Mass353.08
IUPAC Name5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine
SMILESCOc1ncc(Cl)c(N2CCN(Cc3ccc(Cl)cn3)CC2)n1
InChIInChI=1S/C15H17Cl2N5O/c1-23-15-19-9-13(17)14(20-15)22-6-4-21(5-7-22)10-12-3-2-11(16)8-18-12/h2-3,8-9H,4-7,10H2,1H3
InChIKeyVCRYETBUDLTNTM-UHFFFAOYSA-N
XLogP2.51
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine?
The IUPAC name of 5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine (CID 133465592) is 5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine.
What is the SMILES notation for 5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine?
The canonical SMILES for 5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine is COc1ncc(Cl)c(N2CCN(Cc3ccc(Cl)cn3)CC2)n1.
What is the InChIKey of 5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine?
The InChIKey is VCRYETBUDLTNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5O/c1-23-15-19-9-13(17)14(20-15)22-6-4-21(5-7-22)10-12-3-2-11(16)8-18-12/h2-3,8-9H,4-7,10H2,1H3.
What are the key properties of 5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine?
5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine has a molecular weight of 354.24 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine is sourced from PubChem (CID 133465592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).