6-(1-fluoroethyl)-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine

C10H18FN5 — CID 139833188

IUPAC6-(1-fluoroethyl)-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(F)c1nc(N)nc(NC(C)C(C)C)n1
InChIInChI=1S/C10H18FN5/c1-5(2)7(4)13-10-15-8(6(3)11)14-9(12)16-10/h5-7H,1-4H3,(H3,12,13,14,15,16)
InChIKeyMCAOTTDRLKLZLD-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.94
Rot. Bonds4

About 6-(1-fluoroethyl)-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine

6-(1-fluoroethyl)-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 139833188) has the molecular formula C10H18FN5 and a molecular weight of 227.29 g/mol. Its IUPAC name is 6-(1-fluoroethyl)-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-fluoroethyl)-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID139833188
Molecular FormulaC10H18FN5
Molecular Weight227.29 g/mol
Exact Mass227.15
IUPAC Name6-(1-fluoroethyl)-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(F)c1nc(N)nc(NC(C)C(C)C)n1
InChIInChI=1S/C10H18FN5/c1-5(2)7(4)13-10-15-8(6(3)11)14-9(12)16-10/h5-7H,1-4H3,(H3,12,13,14,15,16)
InChIKeyMCAOTTDRLKLZLD-UHFFFAOYSA-N
XLogP1.94
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-fluoroethyl)-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-fluoroethyl)-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine (CID 139833188) is 6-(1-fluoroethyl)-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-fluoroethyl)-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-fluoroethyl)-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine is CC(F)c1nc(N)nc(NC(C)C(C)C)n1.
What is the InChIKey of 6-(1-fluoroethyl)-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MCAOTTDRLKLZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN5/c1-5(2)7(4)13-10-15-8(6(3)11)14-9(12)16-10/h5-7H,1-4H3,(H3,12,13,14,15,16).
What are the key properties of 6-(1-fluoroethyl)-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
6-(1-fluoroethyl)-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 227.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoroethyl)-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139833188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).