acetic acid;[6-(1-ethylindol-4-yl)oxypyrimidin-4-yl]methanamine

C17H20N4O3 — CID 135185961

IUPACacetic acid;[6-(1-ethylindol-4-yl)oxypyrimidin-4-yl]methanamine
SMILESCC(=O)O.CCn1ccc2c(Oc3cc(CN)ncn3)cccc21
InChIInChI=1S/C15H16N4O.C2H4O2/c1-2-19-7-6-12-13(19)4-3-5-14(12)20-15-8-11(9-16)17-10-18-15;1-2(3)4/h3-8,10H,2,9,16H2,1H3;1H3,(H,3,4)
InChIKeyTUZABVDUGRULPD-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.79
Rot. Bonds4

About acetic acid;[6-(1-ethylindol-4-yl)oxypyrimidin-4-yl]methanamine

acetic acid;[6-(1-ethylindol-4-yl)oxypyrimidin-4-yl]methanamine (PubChem CID 135185961) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is acetic acid;[6-(1-ethylindol-4-yl)oxypyrimidin-4-yl]methanamine.

Molecular Properties

Compound Nameacetic acid;[6-(1-ethylindol-4-yl)oxypyrimidin-4-yl]methanamine
PubChem CID135185961
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Nameacetic acid;[6-(1-ethylindol-4-yl)oxypyrimidin-4-yl]methanamine
SMILESCC(=O)O.CCn1ccc2c(Oc3cc(CN)ncn3)cccc21
InChIInChI=1S/C15H16N4O.C2H4O2/c1-2-19-7-6-12-13(19)4-3-5-14(12)20-15-8-11(9-16)17-10-18-15;1-2(3)4/h3-8,10H,2,9,16H2,1H3;1H3,(H,3,4)
InChIKeyTUZABVDUGRULPD-UHFFFAOYSA-N
XLogP2.79
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of acetic acid;[6-(1-ethylindol-4-yl)oxypyrimidin-4-yl]methanamine?
The IUPAC name of acetic acid;[6-(1-ethylindol-4-yl)oxypyrimidin-4-yl]methanamine (CID 135185961) is acetic acid;[6-(1-ethylindol-4-yl)oxypyrimidin-4-yl]methanamine.
What is the SMILES notation for acetic acid;[6-(1-ethylindol-4-yl)oxypyrimidin-4-yl]methanamine?
The canonical SMILES for acetic acid;[6-(1-ethylindol-4-yl)oxypyrimidin-4-yl]methanamine is CC(=O)O.CCn1ccc2c(Oc3cc(CN)ncn3)cccc21.
What is the InChIKey of acetic acid;[6-(1-ethylindol-4-yl)oxypyrimidin-4-yl]methanamine?
The InChIKey is TUZABVDUGRULPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O.C2H4O2/c1-2-19-7-6-12-13(19)4-3-5-14(12)20-15-8-11(9-16)17-10-18-15;1-2(3)4/h3-8,10H,2,9,16H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;[6-(1-ethylindol-4-yl)oxypyrimidin-4-yl]methanamine?
acetic acid;[6-(1-ethylindol-4-yl)oxypyrimidin-4-yl]methanamine has a molecular weight of 328.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[6-(1-ethylindol-4-yl)oxypyrimidin-4-yl]methanamine is sourced from PubChem (CID 135185961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).