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

C16H21N7O2 — CID 24747156

IUPAC2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1
InChIInChI=1S/C16H21N7O2/c17-13(25)11-5-1-2-6-12(11)19-15-20-14(18-7-10-24)21-16(22-15)23-8-3-4-9-23/h1-2,5-6,24H,3-4,7-10H2,(H2,17,25)(H2,18,19,20,21,22)
InChIKeyBBCGTOKEVOZERW-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.72
Rot. Bonds7

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

2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]benzamide (PubChem CID 24747156) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]benzamide.

Molecular Properties

Compound Name2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]benzamide
PubChem CID24747156
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1
InChIInChI=1S/C16H21N7O2/c17-13(25)11-5-1-2-6-12(11)19-15-20-14(18-7-10-24)21-16(22-15)23-8-3-4-9-23/h1-2,5-6,24H,3-4,7-10H2,(H2,17,25)(H2,18,19,20,21,22)
InChIKeyBBCGTOKEVOZERW-UHFFFAOYSA-N
XLogP0.72
TPSA129.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]benzamide?
The IUPAC name of 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]benzamide (CID 24747156) is 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]benzamide.
What is the SMILES notation for 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]benzamide?
The canonical SMILES for 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]benzamide is NC(=O)c1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1.
What is the InChIKey of 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]benzamide?
The InChIKey is BBCGTOKEVOZERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c17-13(25)11-5-1-2-6-12(11)19-15-20-14(18-7-10-24)21-16(22-15)23-8-3-4-9-23/h1-2,5-6,24H,3-4,7-10H2,(H2,17,25)(H2,18,19,20,21,22).
What are the key properties of 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]benzamide?
2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]benzamide has a molecular weight of 343.39 g/mol, XLogP of 0.72, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxyethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]benzamide is sourced from PubChem (CID 24747156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).