2-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxybenzene-1,3-diamine

C19H17N5O2 — CID 68988334

IUPAC2-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxybenzene-1,3-diamine
SMILESCOc1ccc(N)c(-c2nccc(Oc3ccc4[nH]ccc4c3)n2)c1N
InChIInChI=1S/C19H17N5O2/c1-25-15-5-3-13(20)17(18(15)21)19-23-9-7-16(24-19)26-12-2-4-14-11(10-12)6-8-22-14/h2-10,22H,20-21H2,1H3
InChIKeyZSPYRGKHKUUMRM-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.59
Rot. Bonds4

About 2-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxybenzene-1,3-diamine

2-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxybenzene-1,3-diamine (PubChem CID 68988334) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxybenzene-1,3-diamine.

Molecular Properties

Compound Name2-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxybenzene-1,3-diamine
PubChem CID68988334
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxybenzene-1,3-diamine
SMILESCOc1ccc(N)c(-c2nccc(Oc3ccc4[nH]ccc4c3)n2)c1N
InChIInChI=1S/C19H17N5O2/c1-25-15-5-3-13(20)17(18(15)21)19-23-9-7-16(24-19)26-12-2-4-14-11(10-12)6-8-22-14/h2-10,22H,20-21H2,1H3
InChIKeyZSPYRGKHKUUMRM-UHFFFAOYSA-N
XLogP3.59
TPSA112.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxybenzene-1,3-diamine?
The IUPAC name of 2-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxybenzene-1,3-diamine (CID 68988334) is 2-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxybenzene-1,3-diamine.
What is the SMILES notation for 2-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxybenzene-1,3-diamine?
The canonical SMILES for 2-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxybenzene-1,3-diamine is COc1ccc(N)c(-c2nccc(Oc3ccc4[nH]ccc4c3)n2)c1N.
What is the InChIKey of 2-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxybenzene-1,3-diamine?
The InChIKey is ZSPYRGKHKUUMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-25-15-5-3-13(20)17(18(15)21)19-23-9-7-16(24-19)26-12-2-4-14-11(10-12)6-8-22-14/h2-10,22H,20-21H2,1H3.
What are the key properties of 2-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxybenzene-1,3-diamine?
2-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxybenzene-1,3-diamine has a molecular weight of 347.38 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-5-yloxy)pyrimidin-2-yl]-4-methoxybenzene-1,3-diamine is sourced from PubChem (CID 68988334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).