6,7-dimethoxy-1-[3-(pyrimidin-5-ylmethyl)piperidin-1-yl]phthalazine

C20H23N5O2 — CID 24876981

IUPAC6,7-dimethoxy-1-[3-(pyrimidin-5-ylmethyl)piperidin-1-yl]phthalazine
SMILESCOc1cc2cnnc(N3CCCC(Cc4cncnc4)C3)c2cc1OC
InChIInChI=1S/C20H23N5O2/c1-26-18-7-16-11-23-24-20(17(16)8-19(18)27-2)25-5-3-4-14(12-25)6-15-9-21-13-22-10-15/h7-11,13-14H,3-6,12H2,1-2H3
InChIKeyZYJBGDGQZGHGNT-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.90
Rot. Bonds5

About 6,7-dimethoxy-1-[3-(pyrimidin-5-ylmethyl)piperidin-1-yl]phthalazine

6,7-dimethoxy-1-[3-(pyrimidin-5-ylmethyl)piperidin-1-yl]phthalazine (PubChem CID 24876981) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 6,7-dimethoxy-1-[3-(pyrimidin-5-ylmethyl)piperidin-1-yl]phthalazine.

Molecular Properties

Compound Name6,7-dimethoxy-1-[3-(pyrimidin-5-ylmethyl)piperidin-1-yl]phthalazine
PubChem CID24876981
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name6,7-dimethoxy-1-[3-(pyrimidin-5-ylmethyl)piperidin-1-yl]phthalazine
SMILESCOc1cc2cnnc(N3CCCC(Cc4cncnc4)C3)c2cc1OC
InChIInChI=1S/C20H23N5O2/c1-26-18-7-16-11-23-24-20(17(16)8-19(18)27-2)25-5-3-4-14(12-25)6-15-9-21-13-22-10-15/h7-11,13-14H,3-6,12H2,1-2H3
InChIKeyZYJBGDGQZGHGNT-UHFFFAOYSA-N
XLogP2.90
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4,5,6-trimethoxy-1-[3-(pyrimidin-5-ylmethyl)piperidin-1-yl]phthalazine
CID 69270387
6,7-dimethoxy-1-(3-pyrimidin-4-ylpiperidin-1-yl)phthalazine
CID 24878591
6,7-dimethoxy-1-[3-(4-methylphenoxy)piperidin-1-yl]phthalazine
CID 24877800
1-(6,7-dimethoxyphthalazin-1-yl)-N-methylpiperidin-4-amine
CID 20569911
2-cyclopropyl-5-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-1,3,4-oxadiazole
CID 24876865
[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl] acetate;oxalic acid
CID 20569894
N-benzyl-1-(6,7-dimethoxyphthalazin-1-yl)-N-methylpiperidin-4-amine;6,7-dimethoxy-1-[4-[(4-methylphenyl)methyl]piperidin-1-yl]phthalazine
CID 157218030
(3R)-1-(6,7-dimethoxyisoquinolin-1-yl)piperidin-3-amine
CID 106541180
3-[1-(6,7-dimethoxyphthalazin-1-yl)piperidin-4-yl]-5-ethyl-1,2,4-oxadiazole
CID 24877686
1-[3-(chloromethyl)pyrrolidin-1-yl]-6,7-dimethoxyisoquinoline
CID 106542621
1-[4-(2-cyclopropylpyrimidin-4-yl)piperidin-1-yl]-6,7-dimethoxyphthalazine
CID 24876864
3-[(3R)-3-(methoxymethyl)piperidin-1-yl]-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazine
CID 42595056

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-[3-(pyrimidin-5-ylmethyl)piperidin-1-yl]phthalazine?
The IUPAC name of 6,7-dimethoxy-1-[3-(pyrimidin-5-ylmethyl)piperidin-1-yl]phthalazine (CID 24876981) is 6,7-dimethoxy-1-[3-(pyrimidin-5-ylmethyl)piperidin-1-yl]phthalazine.
What is the SMILES notation for 6,7-dimethoxy-1-[3-(pyrimidin-5-ylmethyl)piperidin-1-yl]phthalazine?
The canonical SMILES for 6,7-dimethoxy-1-[3-(pyrimidin-5-ylmethyl)piperidin-1-yl]phthalazine is COc1cc2cnnc(N3CCCC(Cc4cncnc4)C3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-1-[3-(pyrimidin-5-ylmethyl)piperidin-1-yl]phthalazine?
The InChIKey is ZYJBGDGQZGHGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-26-18-7-16-11-23-24-20(17(16)8-19(18)27-2)25-5-3-4-14(12-25)6-15-9-21-13-22-10-15/h7-11,13-14H,3-6,12H2,1-2H3.
What are the key properties of 6,7-dimethoxy-1-[3-(pyrimidin-5-ylmethyl)piperidin-1-yl]phthalazine?
6,7-dimethoxy-1-[3-(pyrimidin-5-ylmethyl)piperidin-1-yl]phthalazine has a molecular weight of 365.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-[3-(pyrimidin-5-ylmethyl)piperidin-1-yl]phthalazine is sourced from PubChem (CID 24876981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).