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

C22H22N4O — CID 3232650

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ncncc3-c3ccccc3C)c2c1
InChIInChI=1S/C22H22N4O/c1-15-5-3-4-6-18(15)20-13-23-14-26-22(20)24-10-9-16-12-25-21-8-7-17(27-2)11-19(16)21/h3-8,11-14,25H,9-10H2,1-2H3,(H,23,24,26)
InChIKeyLEFSKDLSUQIMBU-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.60
Rot. Bonds6

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

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methylphenyl)pyrimidin-4-amine (PubChem CID 3232650) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methylphenyl)pyrimidin-4-amine
PubChem CID3232650
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ncncc3-c3ccccc3C)c2c1
InChIInChI=1S/C22H22N4O/c1-15-5-3-4-6-18(15)20-13-23-14-26-22(20)24-10-9-16-12-25-21-8-7-17(27-2)11-19(16)21/h3-8,11-14,25H,9-10H2,1-2H3,(H,23,24,26)
InChIKeyLEFSKDLSUQIMBU-UHFFFAOYSA-N
XLogP4.60
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methylphenyl)pyrimidin-4-amine (CID 3232650) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methylphenyl)pyrimidin-4-amine is COc1ccc2[nH]cc(CCNc3ncncc3-c3ccccc3C)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methylphenyl)pyrimidin-4-amine?
The InChIKey is LEFSKDLSUQIMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-15-5-3-4-6-18(15)20-13-23-14-26-22(20)24-10-9-16-12-25-21-8-7-17(27-2)11-19(16)21/h3-8,11-14,25H,9-10H2,1-2H3,(H,23,24,26).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methylphenyl)pyrimidin-4-amine?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methylphenyl)pyrimidin-4-amine has a molecular weight of 358.45 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 3232650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).