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

C21H19ClN4O — CID 3233836

IUPAC5-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ncncc3-c3ccccc3Cl)c2c1
InChIInChI=1S/C21H19ClN4O/c1-27-15-6-7-20-17(10-15)14(11-25-20)8-9-24-21-18(12-23-13-26-21)16-4-2-3-5-19(16)22/h2-7,10-13,25H,8-9H2,1H3,(H,23,24,26)
InChIKeyLIOLHDMAPXNVHF-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.94
Rot. Bonds6

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

5-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 3233836) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID3233836
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name5-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ncncc3-c3ccccc3Cl)c2c1
InChIInChI=1S/C21H19ClN4O/c1-27-15-6-7-20-17(10-15)14(11-25-20)8-9-24-21-18(12-23-13-26-21)16-4-2-3-5-19(16)22/h2-7,10-13,25H,8-9H2,1H3,(H,23,24,26)
InChIKeyLIOLHDMAPXNVHF-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 5-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine (CID 3233836) is 5-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine is COc1ccc2[nH]cc(CCNc3ncncc3-c3ccccc3Cl)c2c1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is LIOLHDMAPXNVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-27-15-6-7-20-17(10-15)14(11-25-20)8-9-24-21-18(12-23-13-26-21)16-4-2-3-5-19(16)22/h2-7,10-13,25H,8-9H2,1H3,(H,23,24,26).
What are the key properties of 5-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine?
5-(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 5-(2-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 3233836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).