(2S)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-cyano-N-(2-fluorophenyl)acetamide

C14H14FN7O — CID 97060835

IUPAC(2S)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-cyano-N-(2-fluorophenyl)acetamide
SMILESCN(C)c1nc(N)nc([C@H](C#N)C(=O)Nc2ccccc2F)n1
InChIInChI=1S/C14H14FN7O/c1-22(2)14-20-11(19-13(17)21-14)8(7-16)12(23)18-10-6-4-3-5-9(10)15/h3-6,8H,1-2H3,(H,18,23)(H2,17,19,20,21)/t8-/m0/s1
InChIKeyAYTBHMROKPVTLA-QMMMGPOBSA-N
MW315.31 g/mol
LogP0.90
Rot. Bonds4

About (2S)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-cyano-N-(2-fluorophenyl)acetamide

(2S)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-cyano-N-(2-fluorophenyl)acetamide (PubChem CID 97060835) has the molecular formula C14H14FN7O and a molecular weight of 315.31 g/mol. Its IUPAC name is (2S)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-cyano-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-cyano-N-(2-fluorophenyl)acetamide
PubChem CID97060835
Molecular FormulaC14H14FN7O
Molecular Weight315.31 g/mol
Exact Mass315.12
IUPAC Name(2S)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-cyano-N-(2-fluorophenyl)acetamide
SMILESCN(C)c1nc(N)nc([C@H](C#N)C(=O)Nc2ccccc2F)n1
InChIInChI=1S/C14H14FN7O/c1-22(2)14-20-11(19-13(17)21-14)8(7-16)12(23)18-10-6-4-3-5-9(10)15/h3-6,8H,1-2H3,(H,18,23)(H2,17,19,20,21)/t8-/m0/s1
InChIKeyAYTBHMROKPVTLA-QMMMGPOBSA-N
XLogP0.90
TPSA120.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-cyano-N-(2-fluorophenyl)-2-(5-fluoro-2-pyridinyl)acetamide
CID 86781330
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-fluorophenyl)propanamide
CID 17400774
(2R)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-fluorophenyl)propanamide
CID 41037714
2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide
CID 62876848
2-amino-N-(2-fluorophenyl)propanamide
CID 24707617
2-amino-N-(2-fluorophenyl)propanamide;hydrochloride
CID 75973817
(2S)-N-(2-acetylphenyl)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propanamide
CID 41187420
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-(2,4-difluorophenyl)propanamide
CID 17412417
(2R)-2-(1-benzylimidazol-2-yl)-2-cyano-N-(2-fluorophenyl)acetamide
CID 97082617
2-amino-N-(2-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119262319
(2R)-2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 33228420
2-N-[(2-fluorophenyl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80794162

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-cyano-N-(2-fluorophenyl)acetamide?
The IUPAC name of (2S)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-cyano-N-(2-fluorophenyl)acetamide (CID 97060835) is (2S)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-cyano-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for (2S)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-cyano-N-(2-fluorophenyl)acetamide?
The canonical SMILES for (2S)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-cyano-N-(2-fluorophenyl)acetamide is CN(C)c1nc(N)nc([C@H](C#N)C(=O)Nc2ccccc2F)n1.
What is the InChIKey of (2S)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-cyano-N-(2-fluorophenyl)acetamide?
The InChIKey is AYTBHMROKPVTLA-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H14FN7O/c1-22(2)14-20-11(19-13(17)21-14)8(7-16)12(23)18-10-6-4-3-5-9(10)15/h3-6,8H,1-2H3,(H,18,23)(H2,17,19,20,21)/t8-/m0/s1.
What are the key properties of (2S)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-cyano-N-(2-fluorophenyl)acetamide?
(2S)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-cyano-N-(2-fluorophenyl)acetamide has a molecular weight of 315.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-cyano-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 97060835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).