N-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide

C14H22FN5O — CID 15477550

IUPACN-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide
SMILESCC(F)c1nc(NC=O)nc(NC(C)C2CCCCC2)n1
InChIInChI=1S/C14H22FN5O/c1-9(15)12-18-13(16-8-21)20-14(19-12)17-10(2)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,16,17,18,19,20,21)
InChIKeyYXMPJCABUWFLSE-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.85
Rot. Bonds6

About N-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide

N-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide (PubChem CID 15477550) has the molecular formula C14H22FN5O and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide.

Molecular Properties

Compound NameN-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide
PubChem CID15477550
Molecular FormulaC14H22FN5O
Molecular Weight295.36 g/mol
Exact Mass295.18
IUPAC NameN-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide
SMILESCC(F)c1nc(NC=O)nc(NC(C)C2CCCCC2)n1
InChIInChI=1S/C14H22FN5O/c1-9(15)12-18-13(16-8-21)20-14(19-12)17-10(2)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,16,17,18,19,20,21)
InChIKeyYXMPJCABUWFLSE-UHFFFAOYSA-N
XLogP2.85
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
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-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide?
The IUPAC name of N-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide (CID 15477550) is N-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide.
What is the SMILES notation for N-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide?
The canonical SMILES for N-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide is CC(F)c1nc(NC=O)nc(NC(C)C2CCCCC2)n1.
What is the InChIKey of N-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide?
The InChIKey is YXMPJCABUWFLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5O/c1-9(15)12-18-13(16-8-21)20-14(19-12)17-10(2)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,16,17,18,19,20,21).
What are the key properties of N-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide?
N-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide has a molecular weight of 295.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclohexylethylamino)-6-(1-fluoroethyl)-1,3,5-triazin-2-yl]formamide is sourced from PubChem (CID 15477550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).