2-[hydroxy-(2-methylpyrimidin-4-yl)methyl]-1,3-dihydroindene-2-carbonitrile

C16H15N3O — CID 115530002

IUPAC2-[hydroxy-(2-methylpyrimidin-4-yl)methyl]-1,3-dihydroindene-2-carbonitrile
SMILESCc1nccc(C(O)C2(C#N)Cc3ccccc3C2)n1
InChIInChI=1S/C16H15N3O/c1-11-18-7-6-14(19-11)15(20)16(10-17)8-12-4-2-3-5-13(12)9-16/h2-7,15,20H,8-9H2,1H3
InChIKeyPKJONUHVPQHWRS-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.13
Rot. Bonds2

About 2-[hydroxy-(2-methylpyrimidin-4-yl)methyl]-1,3-dihydroindene-2-carbonitrile

2-[hydroxy-(2-methylpyrimidin-4-yl)methyl]-1,3-dihydroindene-2-carbonitrile (PubChem CID 115530002) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[hydroxy-(2-methylpyrimidin-4-yl)methyl]-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

Compound Name2-[hydroxy-(2-methylpyrimidin-4-yl)methyl]-1,3-dihydroindene-2-carbonitrile
PubChem CID115530002
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-[hydroxy-(2-methylpyrimidin-4-yl)methyl]-1,3-dihydroindene-2-carbonitrile
SMILESCc1nccc(C(O)C2(C#N)Cc3ccccc3C2)n1
InChIInChI=1S/C16H15N3O/c1-11-18-7-6-14(19-11)15(20)16(10-17)8-12-4-2-3-5-13(12)9-16/h2-7,15,20H,8-9H2,1H3
InChIKeyPKJONUHVPQHWRS-UHFFFAOYSA-N
XLogP2.13
TPSA69.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy-(2-methylpyrimidin-4-yl)methyl]-1,3-dihydroindene-2-carbonitrile?
The IUPAC name of 2-[hydroxy-(2-methylpyrimidin-4-yl)methyl]-1,3-dihydroindene-2-carbonitrile (CID 115530002) is 2-[hydroxy-(2-methylpyrimidin-4-yl)methyl]-1,3-dihydroindene-2-carbonitrile.
What is the SMILES notation for 2-[hydroxy-(2-methylpyrimidin-4-yl)methyl]-1,3-dihydroindene-2-carbonitrile?
The canonical SMILES for 2-[hydroxy-(2-methylpyrimidin-4-yl)methyl]-1,3-dihydroindene-2-carbonitrile is Cc1nccc(C(O)C2(C#N)Cc3ccccc3C2)n1.
What is the InChIKey of 2-[hydroxy-(2-methylpyrimidin-4-yl)methyl]-1,3-dihydroindene-2-carbonitrile?
The InChIKey is PKJONUHVPQHWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-11-18-7-6-14(19-11)15(20)16(10-17)8-12-4-2-3-5-13(12)9-16/h2-7,15,20H,8-9H2,1H3.
What are the key properties of 2-[hydroxy-(2-methylpyrimidin-4-yl)methyl]-1,3-dihydroindene-2-carbonitrile?
2-[hydroxy-(2-methylpyrimidin-4-yl)methyl]-1,3-dihydroindene-2-carbonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy-(2-methylpyrimidin-4-yl)methyl]-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 115530002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).