2,3-dihydro-1H-indol-2-yl-(2-methylpyrimidin-4-yl)methanol

C14H15N3O — CID 115527971

IUPAC2,3-dihydro-1H-indol-2-yl-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)C2Cc3ccccc3N2)n1
InChIInChI=1S/C14H15N3O/c1-9-15-7-6-12(16-9)14(18)13-8-10-4-2-3-5-11(10)17-13/h2-7,13-14,17-18H,8H2,1H3
InChIKeyGYZFIIIVTFBNPM-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.86
Rot. Bonds2

About 2,3-dihydro-1H-indol-2-yl-(2-methylpyrimidin-4-yl)methanol

2,3-dihydro-1H-indol-2-yl-(2-methylpyrimidin-4-yl)methanol (PubChem CID 115527971) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-2-yl-(2-methylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-2-yl-(2-methylpyrimidin-4-yl)methanol
PubChem CID115527971
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2,3-dihydro-1H-indol-2-yl-(2-methylpyrimidin-4-yl)methanol
SMILESCc1nccc(C(O)C2Cc3ccccc3N2)n1
InChIInChI=1S/C14H15N3O/c1-9-15-7-6-12(16-9)14(18)13-8-10-4-2-3-5-11(10)17-13/h2-7,13-14,17-18H,8H2,1H3
InChIKeyGYZFIIIVTFBNPM-UHFFFAOYSA-N
XLogP1.86
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-2-yl-(2-methylpyrimidin-4-yl)methanol?
The IUPAC name of 2,3-dihydro-1H-indol-2-yl-(2-methylpyrimidin-4-yl)methanol (CID 115527971) is 2,3-dihydro-1H-indol-2-yl-(2-methylpyrimidin-4-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1H-indol-2-yl-(2-methylpyrimidin-4-yl)methanol?
The canonical SMILES for 2,3-dihydro-1H-indol-2-yl-(2-methylpyrimidin-4-yl)methanol is Cc1nccc(C(O)C2Cc3ccccc3N2)n1.
What is the InChIKey of 2,3-dihydro-1H-indol-2-yl-(2-methylpyrimidin-4-yl)methanol?
The InChIKey is GYZFIIIVTFBNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-15-7-6-12(16-9)14(18)13-8-10-4-2-3-5-11(10)17-13/h2-7,13-14,17-18H,8H2,1H3.
What are the key properties of 2,3-dihydro-1H-indol-2-yl-(2-methylpyrimidin-4-yl)methanol?
2,3-dihydro-1H-indol-2-yl-(2-methylpyrimidin-4-yl)methanol has a molecular weight of 241.29 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-2-yl-(2-methylpyrimidin-4-yl)methanol is sourced from PubChem (CID 115527971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).