1-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-4-pyridin-4-yl-2H-pyrimidin-2-amine

C27H27N5O — CID 141094834

IUPAC1-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-4-pyridin-4-yl-2H-pyrimidin-2-amine
SMILESCN1C=CC(c2ccncc2)=NC1NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C27H27N5O/c1-32-16-12-25(21-9-13-28-14-10-21)31-27(32)29-15-11-22-18-30-26-8-7-23(17-24(22)26)33-19-20-5-3-2-4-6-20/h2-10,12-14,16-18,27,29-30H,11,15,19H2,1H3
InChIKeyJTTRDVCJYWCMQB-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.51
Rot. Bonds8

About 1-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-4-pyridin-4-yl-2H-pyrimidin-2-amine

1-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-4-pyridin-4-yl-2H-pyrimidin-2-amine (PubChem CID 141094834) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is 1-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-4-pyridin-4-yl-2H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-4-pyridin-4-yl-2H-pyrimidin-2-amine
PubChem CID141094834
Molecular FormulaC27H27N5O
Molecular Weight437.55 g/mol
Exact Mass437.22
IUPAC Name1-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-4-pyridin-4-yl-2H-pyrimidin-2-amine
SMILESCN1C=CC(c2ccncc2)=NC1NCCc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C27H27N5O/c1-32-16-12-25(21-9-13-28-14-10-21)31-27(32)29-15-11-22-18-30-26-8-7-23(17-24(22)26)33-19-20-5-3-2-4-6-20/h2-10,12-14,16-18,27,29-30H,11,15,19H2,1H3
InChIKeyJTTRDVCJYWCMQB-UHFFFAOYSA-N
XLogP4.51
TPSA65.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-4-pyridin-4-yl-2H-pyrimidin-2-amine?
The IUPAC name of 1-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-4-pyridin-4-yl-2H-pyrimidin-2-amine (CID 141094834) is 1-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-4-pyridin-4-yl-2H-pyrimidin-2-amine.
What is the SMILES notation for 1-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-4-pyridin-4-yl-2H-pyrimidin-2-amine?
The canonical SMILES for 1-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-4-pyridin-4-yl-2H-pyrimidin-2-amine is CN1C=CC(c2ccncc2)=NC1NCCc1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 1-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-4-pyridin-4-yl-2H-pyrimidin-2-amine?
The InChIKey is JTTRDVCJYWCMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O/c1-32-16-12-25(21-9-13-28-14-10-21)31-27(32)29-15-11-22-18-30-26-8-7-23(17-24(22)26)33-19-20-5-3-2-4-6-20/h2-10,12-14,16-18,27,29-30H,11,15,19H2,1H3.
What are the key properties of 1-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-4-pyridin-4-yl-2H-pyrimidin-2-amine?
1-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-4-pyridin-4-yl-2H-pyrimidin-2-amine has a molecular weight of 437.55 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]-4-pyridin-4-yl-2H-pyrimidin-2-amine is sourced from PubChem (CID 141094834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).