4-[(2-methyl-1H-indol-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine

C24H25N5O2 — CID 59823204

IUPAC4-[(2-methyl-1H-indol-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine
SMILESCc1cc2cc(Oc3ccnc(Nc4cccc(OC5CCCNC5)c4)n3)ccc2[nH]1
InChIInChI=1S/C24H25N5O2/c1-16-12-17-13-20(7-8-22(17)27-16)31-23-9-11-26-24(29-23)28-18-4-2-5-19(14-18)30-21-6-3-10-25-15-21/h2,4-5,7-9,11-14,21,25,27H,3,6,10,15H2,1H3,(H,26,28,29)
InChIKeyYNHJMBZCWSDYEI-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.93
Rot. Bonds6

About 4-[(2-methyl-1H-indol-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine

4-[(2-methyl-1H-indol-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine (PubChem CID 59823204) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-[(2-methyl-1H-indol-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2-methyl-1H-indol-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine
PubChem CID59823204
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-[(2-methyl-1H-indol-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine
SMILESCc1cc2cc(Oc3ccnc(Nc4cccc(OC5CCCNC5)c4)n3)ccc2[nH]1
InChIInChI=1S/C24H25N5O2/c1-16-12-17-13-20(7-8-22(17)27-16)31-23-9-11-26-24(29-23)28-18-4-2-5-19(14-18)30-21-6-3-10-25-15-21/h2,4-5,7-9,11-14,21,25,27H,3,6,10,15H2,1H3,(H,26,28,29)
InChIKeyYNHJMBZCWSDYEI-UHFFFAOYSA-N
XLogP4.93
TPSA84.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1H-indol-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[(2-methyl-1H-indol-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine (CID 59823204) is 4-[(2-methyl-1H-indol-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(2-methyl-1H-indol-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(2-methyl-1H-indol-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine is Cc1cc2cc(Oc3ccnc(Nc4cccc(OC5CCCNC5)c4)n3)ccc2[nH]1.
What is the InChIKey of 4-[(2-methyl-1H-indol-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine?
The InChIKey is YNHJMBZCWSDYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-16-12-17-13-20(7-8-22(17)27-16)31-23-9-11-26-24(29-23)28-18-4-2-5-19(14-18)30-21-6-3-10-25-15-21/h2,4-5,7-9,11-14,21,25,27H,3,6,10,15H2,1H3,(H,26,28,29).
What are the key properties of 4-[(2-methyl-1H-indol-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine?
4-[(2-methyl-1H-indol-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine has a molecular weight of 415.50 g/mol, XLogP of 4.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1H-indol-5-yl)oxy]-N-(3-piperidin-3-yloxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 59823204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).