N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-1H-indol-5-amine

C22H17N5O — CID 90004941

IUPACN-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-1H-indol-5-amine
SMILESNc1ccc(Oc2ccnc(Nc3ccc4[nH]ccc4c3)n2)c2ccccc12
InChIInChI=1S/C22H17N5O/c23-18-6-8-20(17-4-2-1-3-16(17)18)28-21-10-12-25-22(27-21)26-15-5-7-19-14(13-15)9-11-24-19/h1-13,24H,23H2,(H,25,26,27)
InChIKeyWHYXZLDGXOAPBA-UHFFFAOYSA-N
MW367.41 g/mol
LogP5.23
Rot. Bonds4

About N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-1H-indol-5-amine

N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-1H-indol-5-amine (PubChem CID 90004941) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-1H-indol-5-amine.

Molecular Properties

Compound NameN-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-1H-indol-5-amine
PubChem CID90004941
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC NameN-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-1H-indol-5-amine
SMILESNc1ccc(Oc2ccnc(Nc3ccc4[nH]ccc4c3)n2)c2ccccc12
InChIInChI=1S/C22H17N5O/c23-18-6-8-20(17-4-2-1-3-16(17)18)28-21-10-12-25-22(27-21)26-15-5-7-19-14(13-15)9-11-24-19/h1-13,24H,23H2,(H,25,26,27)
InChIKeyWHYXZLDGXOAPBA-UHFFFAOYSA-N
XLogP5.23
TPSA88.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-1H-indol-5-amine?
The IUPAC name of N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-1H-indol-5-amine (CID 90004941) is N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-1H-indol-5-amine.
What is the SMILES notation for N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-1H-indol-5-amine?
The canonical SMILES for N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-1H-indol-5-amine is Nc1ccc(Oc2ccnc(Nc3ccc4[nH]ccc4c3)n2)c2ccccc12.
What is the InChIKey of N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-1H-indol-5-amine?
The InChIKey is WHYXZLDGXOAPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c23-18-6-8-20(17-4-2-1-3-16(17)18)28-21-10-12-25-22(27-21)26-15-5-7-19-14(13-15)9-11-24-19/h1-13,24H,23H2,(H,25,26,27).
What are the key properties of N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-1H-indol-5-amine?
N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-1H-indol-5-amine has a molecular weight of 367.41 g/mol, XLogP of 5.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminonaphthalen-1-yl)oxypyrimidin-2-yl]-1H-indol-5-amine is sourced from PubChem (CID 90004941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).