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

C22H22N4O2 — CID 3235089

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ncncc3-c3ccccc3OC)c2c1
InChIInChI=1S/C22H22N4O2/c1-27-16-7-8-20-18(11-16)15(12-25-20)9-10-24-22-19(13-23-14-26-22)17-5-3-4-6-21(17)28-2/h3-8,11-14,25H,9-10H2,1-2H3,(H,23,24,26)
InChIKeyVHVYRHXPDKAXIW-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.30
Rot. Bonds7

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

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine (PubChem CID 3235089) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine
PubChem CID3235089
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine
SMILESCOc1ccc2[nH]cc(CCNc3ncncc3-c3ccccc3OC)c2c1
InChIInChI=1S/C22H22N4O2/c1-27-16-7-8-20-18(11-16)15(12-25-20)9-10-24-22-19(13-23-14-26-22)17-5-3-4-6-21(17)28-2/h3-8,11-14,25H,9-10H2,1-2H3,(H,23,24,26)
InChIKeyVHVYRHXPDKAXIW-UHFFFAOYSA-N
XLogP4.30
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine (CID 3235089) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine is COc1ccc2[nH]cc(CCNc3ncncc3-c3ccccc3OC)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine?
The InChIKey is VHVYRHXPDKAXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-27-16-7-8-20-18(11-16)15(12-25-20)9-10-24-22-19(13-23-14-26-22)17-5-3-4-6-21(17)28-2/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-methoxyphenyl)pyrimidin-4-amine?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine has a molecular weight of 374.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(2-methoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 3235089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).