[6-(1-benzylindol-4-yl)oxypyrimidin-4-yl]methanamine;hydrochloride

C20H19ClN4O — CID 135185994

IUPAC[6-(1-benzylindol-4-yl)oxypyrimidin-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(Oc2cccc3c2ccn3Cc2ccccc2)ncn1
InChIInChI=1S/C20H18N4O.ClH/c21-12-16-11-20(23-14-22-16)25-19-8-4-7-18-17(19)9-10-24(18)13-15-5-2-1-3-6-15;/h1-11,14H,12-13,21H2;1H
InChIKeyQKXSVSBTRBPUGG-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.15
Rot. Bonds5

About [6-(1-benzylindol-4-yl)oxypyrimidin-4-yl]methanamine;hydrochloride

[6-(1-benzylindol-4-yl)oxypyrimidin-4-yl]methanamine;hydrochloride (PubChem CID 135185994) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is [6-(1-benzylindol-4-yl)oxypyrimidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[6-(1-benzylindol-4-yl)oxypyrimidin-4-yl]methanamine;hydrochloride
PubChem CID135185994
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name[6-(1-benzylindol-4-yl)oxypyrimidin-4-yl]methanamine;hydrochloride
SMILESCl.NCc1cc(Oc2cccc3c2ccn3Cc2ccccc2)ncn1
InChIInChI=1S/C20H18N4O.ClH/c21-12-16-11-20(23-14-22-16)25-19-8-4-7-18-17(19)9-10-24(18)13-15-5-2-1-3-6-15;/h1-11,14H,12-13,21H2;1H
InChIKeyQKXSVSBTRBPUGG-UHFFFAOYSA-N
XLogP4.15
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(1-benzylindol-4-yl)oxypyrimidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [6-(1-benzylindol-4-yl)oxypyrimidin-4-yl]methanamine;hydrochloride (CID 135185994) is [6-(1-benzylindol-4-yl)oxypyrimidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [6-(1-benzylindol-4-yl)oxypyrimidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [6-(1-benzylindol-4-yl)oxypyrimidin-4-yl]methanamine;hydrochloride is Cl.NCc1cc(Oc2cccc3c2ccn3Cc2ccccc2)ncn1.
What is the InChIKey of [6-(1-benzylindol-4-yl)oxypyrimidin-4-yl]methanamine;hydrochloride?
The InChIKey is QKXSVSBTRBPUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O.ClH/c21-12-16-11-20(23-14-22-16)25-19-8-4-7-18-17(19)9-10-24(18)13-15-5-2-1-3-6-15;/h1-11,14H,12-13,21H2;1H.
What are the key properties of [6-(1-benzylindol-4-yl)oxypyrimidin-4-yl]methanamine;hydrochloride?
[6-(1-benzylindol-4-yl)oxypyrimidin-4-yl]methanamine;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-benzylindol-4-yl)oxypyrimidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 135185994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).