N-[2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]acetamide

C17H23N7O2 — CID 24747276

IUPACN-[2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1
InChIInChI=1S/C17H23N7O2/c1-12(26)19-13-6-2-3-7-14(13)20-16-21-15(18-8-11-25)22-17(23-16)24-9-4-5-10-24/h2-3,6-7,25H,4-5,8-11H2,1H3,(H,19,26)(H2,18,20,21,22,23)
InChIKeyJAXDTZJYSYKJAZ-UHFFFAOYSA-N
MW357.42 g/mol
LogP1.58
Rot. Bonds7

About N-[2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]acetamide

N-[2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 24747276) has the molecular formula C17H23N7O2 and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID24747276
Molecular FormulaC17H23N7O2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC NameN-[2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1
InChIInChI=1S/C17H23N7O2/c1-12(26)19-13-6-2-3-7-14(13)20-16-21-15(18-8-11-25)22-17(23-16)24-9-4-5-10-24/h2-3,6-7,25H,4-5,8-11H2,1H3,(H,19,26)(H2,18,20,21,22,23)
InChIKeyJAXDTZJYSYKJAZ-UHFFFAOYSA-N
XLogP1.58
TPSA115.30 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 51.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 24747276) is N-[2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1.
What is the InChIKey of N-[2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is JAXDTZJYSYKJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2/c1-12(26)19-13-6-2-3-7-14(13)20-16-21-15(18-8-11-25)22-17(23-16)24-9-4-5-10-24/h2-3,6-7,25H,4-5,8-11H2,1H3,(H,19,26)(H2,18,20,21,22,23).
What are the key properties of N-[2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 357.42 g/mol, XLogP of 1.58, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 24747276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).