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

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

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Related Compounds

5-[[4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 75380996
4-(4-but-3-ynylpiperazin-1-yl)-5-chloro-2-methoxypyrimidine
CID 133453611
2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline
CID 133465607
3-[4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 80758415
2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 80753257
1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine
CID 75498823
[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol
CID 80710491
1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133465598
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 80758601
1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine
CID 133465721
1-(5-chloro-2-methoxypyrimidin-4-yl)-4-methylazepan-4-ol
CID 107407533
5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 133490584

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).