6-(5-cyclopropyloxy-2-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydrophthalazin-1-one

C22H20N4O2 — CID 138488406

IUPAC6-(5-cyclopropyloxy-2-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydrophthalazin-1-one
SMILESCc1ccc(OC2CC2)cc1C1=Cc2cnn(-c3ncccn3)c(=O)c2CC1
InChIInChI=1S/C22H20N4O2/c1-14-3-5-18(28-17-6-7-17)12-20(14)15-4-8-19-16(11-15)13-25-26(21(19)27)22-23-9-2-10-24-22/h2-3,5,9-13,17H,4,6-8H2,1H3
InChIKeyMKGOODGJOQXZTF-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.36
Rot. Bonds4

About 6-(5-cyclopropyloxy-2-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydrophthalazin-1-one

6-(5-cyclopropyloxy-2-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydrophthalazin-1-one (PubChem CID 138488406) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-(5-cyclopropyloxy-2-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydrophthalazin-1-one.

Molecular Properties

Compound Name6-(5-cyclopropyloxy-2-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydrophthalazin-1-one
PubChem CID138488406
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name6-(5-cyclopropyloxy-2-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydrophthalazin-1-one
SMILESCc1ccc(OC2CC2)cc1C1=Cc2cnn(-c3ncccn3)c(=O)c2CC1
InChIInChI=1S/C22H20N4O2/c1-14-3-5-18(28-17-6-7-17)12-20(14)15-4-8-19-16(11-15)13-25-26(21(19)27)22-23-9-2-10-24-22/h2-3,5,9-13,17H,4,6-8H2,1H3
InChIKeyMKGOODGJOQXZTF-UHFFFAOYSA-N
XLogP3.36
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-methoxy-2-methylphenyl)-2-pyridin-2-yl-7,8-dihydrophthalazin-1-one
CID 138488340
6-(5-methoxy-2-methylphenyl)-2-pyrimidin-2-yl-5,6,7,8-tetrahydrophthalazin-1-one
CID 138488229
6-(3-cyclopentyloxyphenyl)-2-pyrimidin-2-yl-5,6,7,8-tetrahydrophthalazin-1-one
CID 138488386
7-(3-cyclopropyloxyphenyl)-6-methyl-3-pyridin-2-ylpyrrolo[1,2-d][1,2,4]triazin-4-one
CID 171620605
6-(2-cyclopropyloxy-3-fluoro-4-pyridinyl)-5-methyl-3-pyrimidin-2-ylpyrrolo[3,4-d]pyridazin-4-one
CID 166126779
9-methoxy-6-methyl-3-pyrimidin-2-yl-4,5-dihydropyrazolo[5,4-c]acridine
CID 167791993
(4S)-4-(4-cyclopentyloxyphenyl)-3-methyl-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135882883
3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277839
(4R)-4-(3-cyclopentyloxyphenyl)-3-methyl-1-pyrimidin-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135902678
7-(3-cyclopropyloxyphenyl)-3-[5-(difluoromethoxy)pyrimidin-2-yl]-6,8-dimethylpyrrolo[1,2-d][1,2,4]triazin-4-one
CID 171620613
7-cyclopropyloxy-1,4-dimethylquinolin-2-one
CID 143375645
4-quinolin-6-yloxycyclohexan-1-amine
CID 83719875

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclopropyloxy-2-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydrophthalazin-1-one?
The IUPAC name of 6-(5-cyclopropyloxy-2-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydrophthalazin-1-one (CID 138488406) is 6-(5-cyclopropyloxy-2-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydrophthalazin-1-one.
What is the SMILES notation for 6-(5-cyclopropyloxy-2-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydrophthalazin-1-one?
The canonical SMILES for 6-(5-cyclopropyloxy-2-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydrophthalazin-1-one is Cc1ccc(OC2CC2)cc1C1=Cc2cnn(-c3ncccn3)c(=O)c2CC1.
What is the InChIKey of 6-(5-cyclopropyloxy-2-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydrophthalazin-1-one?
The InChIKey is MKGOODGJOQXZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c1-14-3-5-18(28-17-6-7-17)12-20(14)15-4-8-19-16(11-15)13-25-26(21(19)27)22-23-9-2-10-24-22/h2-3,5,9-13,17H,4,6-8H2,1H3.
What are the key properties of 6-(5-cyclopropyloxy-2-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydrophthalazin-1-one?
6-(5-cyclopropyloxy-2-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydrophthalazin-1-one has a molecular weight of 372.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclopropyloxy-2-methylphenyl)-2-pyrimidin-2-yl-7,8-dihydrophthalazin-1-one is sourced from PubChem (CID 138488406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).