5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine

C16H18Cl2N4O — CID 133490584

IUPAC5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
SMILESCOc1ccc(Cl)cc1CN1CCN(c2ncncc2Cl)CC1
InChIInChI=1S/C16H18Cl2N4O/c1-23-15-3-2-13(17)8-12(15)10-21-4-6-22(7-5-21)16-14(18)9-19-11-20-16/h2-3,8-9,11H,4-7,10H2,1H3
InChIKeyIYFFWMDGWWMOGU-UHFFFAOYSA-N
MW353.25 g/mol
LogP3.11
Rot. Bonds4

About 5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine

5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 133490584) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is 5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
PubChem CID133490584
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC Name5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
SMILESCOc1ccc(Cl)cc1CN1CCN(c2ncncc2Cl)CC1
InChIInChI=1S/C16H18Cl2N4O/c1-23-15-3-2-13(17)8-12(15)10-21-4-6-22(7-5-21)16-14(18)9-19-11-20-16/h2-3,8-9,11H,4-7,10H2,1H3
InChIKeyIYFFWMDGWWMOGU-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-fluoroquinazoline
CID 78901448
4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine
CID 130167475
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
1-(3,5-dichloro-2-pyridinyl)-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 112772605
1-(2-chloroethyl)-4-[(5-chloro-2-methoxyphenyl)methyl]-1,4-diazepane
CID 63387973
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842
4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
CID 163344110
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpropan-1-amine
CID 63344190
3-[4-[(5-chloro-2-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43646650
4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-6-ethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 91965375
[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]methanone
CID 55687589

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine (CID 133490584) is 5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine is COc1ccc(Cl)cc1CN1CCN(c2ncncc2Cl)CC1.
What is the InChIKey of 5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is IYFFWMDGWWMOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c1-23-15-3-2-13(17)8-12(15)10-21-4-6-22(7-5-21)16-14(18)9-19-11-20-16/h2-3,8-9,11H,4-7,10H2,1H3.
What are the key properties of 5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine?
5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 353.25 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 133490584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).