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

C13H15N7O2 — CID 164626953

IUPAC2-[[4-[(2-amino-2-oxoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]acetamide
SMILESNC(=O)CNc1nc(NCC(N)=O)nc(-c2ccccc2)n1
InChIInChI=1S/C13H15N7O2/c14-9(21)6-16-12-18-11(8-4-2-1-3-5-8)19-13(20-12)17-7-10(15)22/h1-5H,6-7H2,(H2,14,21)(H2,15,22)(H2,16,17,18,19,20)
InChIKeyRCNGADNOLVLFAK-UHFFFAOYSA-N
MW301.31 g/mol
LogP-0.67
Rot. Bonds7

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

2-[[4-[(2-amino-2-oxoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]acetamide (PubChem CID 164626953) has the molecular formula C13H15N7O2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-[[4-[(2-amino-2-oxoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[4-[(2-amino-2-oxoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]acetamide
PubChem CID164626953
Molecular FormulaC13H15N7O2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name2-[[4-[(2-amino-2-oxoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]acetamide
SMILESNC(=O)CNc1nc(NCC(N)=O)nc(-c2ccccc2)n1
InChIInChI=1S/C13H15N7O2/c14-9(21)6-16-12-18-11(8-4-2-1-3-5-8)19-13(20-12)17-7-10(15)22/h1-5H,6-7H2,(H2,14,21)(H2,15,22)(H2,16,17,18,19,20)
InChIKeyRCNGADNOLVLFAK-UHFFFAOYSA-N
XLogP-0.67
TPSA148.91 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-amino-2-oxoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]acetamide?
The IUPAC name of 2-[[4-[(2-amino-2-oxoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]acetamide (CID 164626953) is 2-[[4-[(2-amino-2-oxoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]acetamide.
What is the SMILES notation for 2-[[4-[(2-amino-2-oxoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]acetamide?
The canonical SMILES for 2-[[4-[(2-amino-2-oxoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]acetamide is NC(=O)CNc1nc(NCC(N)=O)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[[4-[(2-amino-2-oxoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]acetamide?
The InChIKey is RCNGADNOLVLFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O2/c14-9(21)6-16-12-18-11(8-4-2-1-3-5-8)19-13(20-12)17-7-10(15)22/h1-5H,6-7H2,(H2,14,21)(H2,15,22)(H2,16,17,18,19,20).
What are the key properties of 2-[[4-[(2-amino-2-oxoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]acetamide?
2-[[4-[(2-amino-2-oxoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]acetamide has a molecular weight of 301.31 g/mol, XLogP of -0.67, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-amino-2-oxoethyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]acetamide is sourced from PubChem (CID 164626953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).