N-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine

C18H14N4 — CID 155412429

IUPACN-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine
SMILESc1ccc(-c2ccnc(Nc3ccc4cc[nH]c4c3)n2)cc1
InChIInChI=1S/C18H14N4/c1-2-4-13(5-3-1)16-9-11-20-18(22-16)21-15-7-6-14-8-10-19-17(14)12-15/h1-12,19H,(H,20,21,22)
InChIKeyKCRMWJNIQAWIRF-UHFFFAOYSA-N
MW286.34 g/mol
LogP4.37
Rot. Bonds3

About N-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine

N-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine (PubChem CID 155412429) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine.

Molecular Properties

Compound NameN-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine
PubChem CID155412429
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC NameN-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine
SMILESc1ccc(-c2ccnc(Nc3ccc4cc[nH]c4c3)n2)cc1
InChIInChI=1S/C18H14N4/c1-2-4-13(5-3-1)16-9-11-20-18(22-16)21-15-7-6-14-8-10-19-17(14)12-15/h1-12,19H,(H,20,21,22)
InChIKeyKCRMWJNIQAWIRF-UHFFFAOYSA-N
XLogP4.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine?
The IUPAC name of N-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine (CID 155412429) is N-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine.
What is the SMILES notation for N-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine?
The canonical SMILES for N-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine is c1ccc(-c2ccnc(Nc3ccc4cc[nH]c4c3)n2)cc1.
What is the InChIKey of N-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine?
The InChIKey is KCRMWJNIQAWIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-2-4-13(5-3-1)16-9-11-20-18(22-16)21-15-7-6-14-8-10-19-17(14)12-15/h1-12,19H,(H,20,21,22).
What are the key properties of N-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine?
N-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine has a molecular weight of 286.34 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylpyrimidin-2-yl)-1H-indol-6-amine is sourced from PubChem (CID 155412429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).