4-(2,3-dihydro-1H-indol-5-yloxy)-6-methylpyrimidin-2-amine

C13H14N4O — CID 59596374

IUPAC4-(2,3-dihydro-1H-indol-5-yloxy)-6-methylpyrimidin-2-amine
SMILESCc1cc(Oc2ccc3c(c2)CCN3)nc(N)n1
InChIInChI=1S/C13H14N4O/c1-8-6-12(17-13(14)16-8)18-10-2-3-11-9(7-10)4-5-15-11/h2-3,6-7,15H,4-5H2,1H3,(H2,14,16,17)
InChIKeyHHKPJFCYYYXDOY-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.13
Rot. Bonds2

About 4-(2,3-dihydro-1H-indol-5-yloxy)-6-methylpyrimidin-2-amine

4-(2,3-dihydro-1H-indol-5-yloxy)-6-methylpyrimidin-2-amine (PubChem CID 59596374) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-5-yloxy)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-5-yloxy)-6-methylpyrimidin-2-amine
PubChem CID59596374
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name4-(2,3-dihydro-1H-indol-5-yloxy)-6-methylpyrimidin-2-amine
SMILESCc1cc(Oc2ccc3c(c2)CCN3)nc(N)n1
InChIInChI=1S/C13H14N4O/c1-8-6-12(17-13(14)16-8)18-10-2-3-11-9(7-10)4-5-15-11/h2-3,6-7,15H,4-5H2,1H3,(H2,14,16,17)
InChIKeyHHKPJFCYYYXDOY-UHFFFAOYSA-N
XLogP2.13
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-5-yloxy)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(2,3-dihydro-1H-indol-5-yloxy)-6-methylpyrimidin-2-amine (CID 59596374) is 4-(2,3-dihydro-1H-indol-5-yloxy)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-5-yloxy)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-5-yloxy)-6-methylpyrimidin-2-amine is Cc1cc(Oc2ccc3c(c2)CCN3)nc(N)n1.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-5-yloxy)-6-methylpyrimidin-2-amine?
The InChIKey is HHKPJFCYYYXDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-6-12(17-13(14)16-8)18-10-2-3-11-9(7-10)4-5-15-11/h2-3,6-7,15H,4-5H2,1H3,(H2,14,16,17).
What are the key properties of 4-(2,3-dihydro-1H-indol-5-yloxy)-6-methylpyrimidin-2-amine?
4-(2,3-dihydro-1H-indol-5-yloxy)-6-methylpyrimidin-2-amine has a molecular weight of 242.28 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-5-yloxy)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 59596374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).