6-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine

C21H19ClN4O — CID 3232872

IUPAC6-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3cc(-c4ccccc4Cl)ncn3)c2c1
InChIInChI=1S/C21H19ClN4O/c1-27-15-6-7-19-17(10-15)14(12-24-19)8-9-23-21-11-20(25-13-26-21)16-4-2-3-5-18(16)22/h2-7,10-13,24H,8-9H2,1H3,(H,23,25,26)
InChIKeyNBZCLJWXXZEGHO-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.94
Rot. Bonds6

About 6-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine

6-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 3232872) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID3232872
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name6-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3cc(-c4ccccc4Cl)ncn3)c2c1
InChIInChI=1S/C21H19ClN4O/c1-27-15-6-7-19-17(10-15)14(12-24-19)8-9-23-21-11-20(25-13-26-21)16-4-2-3-5-18(16)22/h2-7,10-13,24H,8-9H2,1H3,(H,23,25,26)
InChIKeyNBZCLJWXXZEGHO-UHFFFAOYSA-N
XLogP4.94
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine (CID 3232872) is 6-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine is COc1ccc2[nH]cc(CCNc3cc(-c4ccccc4Cl)ncn3)c2c1.
What is the InChIKey of 6-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is NBZCLJWXXZEGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-27-15-6-7-19-17(10-15)14(12-24-19)8-9-23-21-11-20(25-13-26-21)16-4-2-3-5-18(16)22/h2-7,10-13,24H,8-9H2,1H3,(H,23,25,26).
What are the key properties of 6-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
6-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 378.86 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 3232872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).