2-[3-[1-[[2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-yl]amino]ethyl]phenoxy]acetamide

C24H25N5O2 — CID 70977626

IUPAC2-[3-[1-[[2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-yl]amino]ethyl]phenoxy]acetamide
SMILESCc1nc(NC(C)c2cccc(OCC(N)=O)c2)cc(-c2cc3ccccc3n2C)n1
InChIInChI=1S/C24H25N5O2/c1-15(17-8-6-9-19(11-17)31-14-23(25)30)26-24-13-20(27-16(2)28-24)22-12-18-7-4-5-10-21(18)29(22)3/h4-13,15H,14H2,1-3H3,(H2,25,30)(H,26,27,28)
InChIKeySMCXZNIJFXPFPA-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.98
Rot. Bonds7

About 2-[3-[1-[[2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-yl]amino]ethyl]phenoxy]acetamide

2-[3-[1-[[2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-yl]amino]ethyl]phenoxy]acetamide (PubChem CID 70977626) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-[3-[1-[[2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-yl]amino]ethyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[1-[[2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-yl]amino]ethyl]phenoxy]acetamide
PubChem CID70977626
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2-[3-[1-[[2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-yl]amino]ethyl]phenoxy]acetamide
SMILESCc1nc(NC(C)c2cccc(OCC(N)=O)c2)cc(-c2cc3ccccc3n2C)n1
InChIInChI=1S/C24H25N5O2/c1-15(17-8-6-9-19(11-17)31-14-23(25)30)26-24-13-20(27-16(2)28-24)22-12-18-7-4-5-10-21(18)29(22)3/h4-13,15H,14H2,1-3H3,(H2,25,30)(H,26,27,28)
InChIKeySMCXZNIJFXPFPA-UHFFFAOYSA-N
XLogP3.98
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[[2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-yl]amino]ethyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[1-[[2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-yl]amino]ethyl]phenoxy]acetamide (CID 70977626) is 2-[3-[1-[[2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-yl]amino]ethyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[1-[[2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-yl]amino]ethyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[1-[[2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-yl]amino]ethyl]phenoxy]acetamide is Cc1nc(NC(C)c2cccc(OCC(N)=O)c2)cc(-c2cc3ccccc3n2C)n1.
What is the InChIKey of 2-[3-[1-[[2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-yl]amino]ethyl]phenoxy]acetamide?
The InChIKey is SMCXZNIJFXPFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15(17-8-6-9-19(11-17)31-14-23(25)30)26-24-13-20(27-16(2)28-24)22-12-18-7-4-5-10-21(18)29(22)3/h4-13,15H,14H2,1-3H3,(H2,25,30)(H,26,27,28).
What are the key properties of 2-[3-[1-[[2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-yl]amino]ethyl]phenoxy]acetamide?
2-[3-[1-[[2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-yl]amino]ethyl]phenoxy]acetamide has a molecular weight of 415.50 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[[2-methyl-6-(1-methylindol-2-yl)pyrimidin-4-yl]amino]ethyl]phenoxy]acetamide is sourced from PubChem (CID 70977626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).