6,7-dimethoxy-1-(3-pyrimidin-4-ylpiperidin-1-yl)phthalazine

C19H21N5O2 — CID 24878591

IUPAC6,7-dimethoxy-1-(3-pyrimidin-4-ylpiperidin-1-yl)phthalazine
SMILESCOc1cc2cnnc(N3CCCC(c4ccncn4)C3)c2cc1OC
InChIInChI=1S/C19H21N5O2/c1-25-17-8-14-10-22-23-19(15(14)9-18(17)26-2)24-7-3-4-13(11-24)16-5-6-20-12-21-16/h5-6,8-10,12-13H,3-4,7,11H2,1-2H3
InChIKeyYRQURVDTQHCBIZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.82
Rot. Bonds4

About 6,7-dimethoxy-1-(3-pyrimidin-4-ylpiperidin-1-yl)phthalazine

6,7-dimethoxy-1-(3-pyrimidin-4-ylpiperidin-1-yl)phthalazine (PubChem CID 24878591) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6,7-dimethoxy-1-(3-pyrimidin-4-ylpiperidin-1-yl)phthalazine.

Molecular Properties

Compound Name6,7-dimethoxy-1-(3-pyrimidin-4-ylpiperidin-1-yl)phthalazine
PubChem CID24878591
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name6,7-dimethoxy-1-(3-pyrimidin-4-ylpiperidin-1-yl)phthalazine
SMILESCOc1cc2cnnc(N3CCCC(c4ccncn4)C3)c2cc1OC
InChIInChI=1S/C19H21N5O2/c1-25-17-8-14-10-22-23-19(15(14)9-18(17)26-2)24-7-3-4-13(11-24)16-5-6-20-12-21-16/h5-6,8-10,12-13H,3-4,7,11H2,1-2H3
InChIKeyYRQURVDTQHCBIZ-UHFFFAOYSA-N
XLogP2.82
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-(3-pyrimidin-4-ylpiperidin-1-yl)phthalazine?
The IUPAC name of 6,7-dimethoxy-1-(3-pyrimidin-4-ylpiperidin-1-yl)phthalazine (CID 24878591) is 6,7-dimethoxy-1-(3-pyrimidin-4-ylpiperidin-1-yl)phthalazine.
What is the SMILES notation for 6,7-dimethoxy-1-(3-pyrimidin-4-ylpiperidin-1-yl)phthalazine?
The canonical SMILES for 6,7-dimethoxy-1-(3-pyrimidin-4-ylpiperidin-1-yl)phthalazine is COc1cc2cnnc(N3CCCC(c4ccncn4)C3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-1-(3-pyrimidin-4-ylpiperidin-1-yl)phthalazine?
The InChIKey is YRQURVDTQHCBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-25-17-8-14-10-22-23-19(15(14)9-18(17)26-2)24-7-3-4-13(11-24)16-5-6-20-12-21-16/h5-6,8-10,12-13H,3-4,7,11H2,1-2H3.
What are the key properties of 6,7-dimethoxy-1-(3-pyrimidin-4-ylpiperidin-1-yl)phthalazine?
6,7-dimethoxy-1-(3-pyrimidin-4-ylpiperidin-1-yl)phthalazine has a molecular weight of 351.41 g/mol, XLogP of 2.82, 4 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-4-ylpiperidin-1-yl)phthalazine is sourced from PubChem (CID 24878591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).