4-(4-chlorophenyl)-6-(1-ethylindol-3-yl)pyrimidin-2-amine

C20H17ClN4 — CID 123323218

IUPAC4-(4-chlorophenyl)-6-(1-ethylindol-3-yl)pyrimidin-2-amine
SMILESCCn1cc(-c2cc(-c3ccc(Cl)cc3)nc(N)n2)c2ccccc21
InChIInChI=1S/C20H17ClN4/c1-2-25-12-16(15-5-3-4-6-19(15)25)18-11-17(23-20(22)24-18)13-7-9-14(21)10-8-13/h3-12H,2H2,1H3,(H2,22,23,24)
InChIKeyJIJXRXWIHHZIGR-UHFFFAOYSA-N
MW348.84 g/mol
LogP5.02
Rot. Bonds3

About 4-(4-chlorophenyl)-6-(1-ethylindol-3-yl)pyrimidin-2-amine

4-(4-chlorophenyl)-6-(1-ethylindol-3-yl)pyrimidin-2-amine (PubChem CID 123323218) has the molecular formula C20H17ClN4 and a molecular weight of 348.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-(1-ethylindol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-(1-ethylindol-3-yl)pyrimidin-2-amine
PubChem CID123323218
Molecular FormulaC20H17ClN4
Molecular Weight348.84 g/mol
Exact Mass348.11
IUPAC Name4-(4-chlorophenyl)-6-(1-ethylindol-3-yl)pyrimidin-2-amine
SMILESCCn1cc(-c2cc(-c3ccc(Cl)cc3)nc(N)n2)c2ccccc21
InChIInChI=1S/C20H17ClN4/c1-2-25-12-16(15-5-3-4-6-19(15)25)18-11-17(23-20(22)24-18)13-7-9-14(21)10-8-13/h3-12H,2H2,1H3,(H2,22,23,24)
InChIKeyJIJXRXWIHHZIGR-UHFFFAOYSA-N
XLogP5.02
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.84
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-(1-ethylindol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-6-(1-ethylindol-3-yl)pyrimidin-2-amine (CID 123323218) is 4-(4-chlorophenyl)-6-(1-ethylindol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-(1-ethylindol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-6-(1-ethylindol-3-yl)pyrimidin-2-amine is CCn1cc(-c2cc(-c3ccc(Cl)cc3)nc(N)n2)c2ccccc21.
What is the InChIKey of 4-(4-chlorophenyl)-6-(1-ethylindol-3-yl)pyrimidin-2-amine?
The InChIKey is JIJXRXWIHHZIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4/c1-2-25-12-16(15-5-3-4-6-19(15)25)18-11-17(23-20(22)24-18)13-7-9-14(21)10-8-13/h3-12H,2H2,1H3,(H2,22,23,24).
What are the key properties of 4-(4-chlorophenyl)-6-(1-ethylindol-3-yl)pyrimidin-2-amine?
4-(4-chlorophenyl)-6-(1-ethylindol-3-yl)pyrimidin-2-amine has a molecular weight of 348.84 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-(1-ethylindol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 123323218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).