N-[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]-N-methylformamide

C7H10FN5O — CID 173426731

IUPACN-[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]-N-methylformamide
SMILESCN(C)c1nc(F)nc(N(C)C=O)n1
InChIInChI=1S/C7H10FN5O/c1-12(2)6-9-5(8)10-7(11-6)13(3)4-14/h4H,1-3H3
InChIKeyVUAKICNYKLBPQF-UHFFFAOYSA-N
MW199.19 g/mol
LogP-0.33
Rot. Bonds3

About N-[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]-N-methylformamide

N-[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]-N-methylformamide (PubChem CID 173426731) has the molecular formula C7H10FN5O and a molecular weight of 199.19 g/mol. Its IUPAC name is N-[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]-N-methylformamide
PubChem CID173426731
Molecular FormulaC7H10FN5O
Molecular Weight199.19 g/mol
Exact Mass199.09
IUPAC NameN-[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]-N-methylformamide
SMILESCN(C)c1nc(F)nc(N(C)C=O)n1
InChIInChI=1S/C7H10FN5O/c1-12(2)6-9-5(8)10-7(11-6)13(3)4-14/h4H,1-3H3
InChIKeyVUAKICNYKLBPQF-UHFFFAOYSA-N
XLogP-0.33
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]-N-methylformamide?
The IUPAC name of N-[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]-N-methylformamide (CID 173426731) is N-[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]-N-methylformamide.
What is the SMILES notation for N-[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]-N-methylformamide?
The canonical SMILES for N-[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]-N-methylformamide is CN(C)c1nc(F)nc(N(C)C=O)n1.
What is the InChIKey of N-[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]-N-methylformamide?
The InChIKey is VUAKICNYKLBPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN5O/c1-12(2)6-9-5(8)10-7(11-6)13(3)4-14/h4H,1-3H3.
What are the key properties of N-[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]-N-methylformamide?
N-[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]-N-methylformamide has a molecular weight of 199.19 g/mol, XLogP of -0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-6-fluoro-1,3,5-triazin-2-yl]-N-methylformamide is sourced from PubChem (CID 173426731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).