2-N-(3-fluoropropyl)-6-methyl-1,3,5-triazine-2,4-diamine

C7H12FN5 — CID 130532847

IUPAC2-N-(3-fluoropropyl)-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NCCCF)n1
InChIInChI=1S/C7H12FN5/c1-5-11-6(9)13-7(12-5)10-4-2-3-8/h2-4H2,1H3,(H3,9,10,11,12,13)
InChIKeyZYJGWJARVRZMTR-UHFFFAOYSA-N
MW185.21 g/mol
LogP0.53
Rot. Bonds4

About 2-N-(3-fluoropropyl)-6-methyl-1,3,5-triazine-2,4-diamine

2-N-(3-fluoropropyl)-6-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 130532847) has the molecular formula C7H12FN5 and a molecular weight of 185.21 g/mol. Its IUPAC name is 2-N-(3-fluoropropyl)-6-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-fluoropropyl)-6-methyl-1,3,5-triazine-2,4-diamine
PubChem CID130532847
Molecular FormulaC7H12FN5
Molecular Weight185.21 g/mol
Exact Mass185.11
IUPAC Name2-N-(3-fluoropropyl)-6-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NCCCF)n1
InChIInChI=1S/C7H12FN5/c1-5-11-6(9)13-7(12-5)10-4-2-3-8/h2-4H2,1H3,(H3,9,10,11,12,13)
InChIKeyZYJGWJARVRZMTR-UHFFFAOYSA-N
XLogP0.53
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.21
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluoropropyl)-6-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-fluoropropyl)-6-methyl-1,3,5-triazine-2,4-diamine (CID 130532847) is 2-N-(3-fluoropropyl)-6-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-fluoropropyl)-6-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-fluoropropyl)-6-methyl-1,3,5-triazine-2,4-diamine is Cc1nc(N)nc(NCCCF)n1.
What is the InChIKey of 2-N-(3-fluoropropyl)-6-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZYJGWJARVRZMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN5/c1-5-11-6(9)13-7(12-5)10-4-2-3-8/h2-4H2,1H3,(H3,9,10,11,12,13).
What are the key properties of 2-N-(3-fluoropropyl)-6-methyl-1,3,5-triazine-2,4-diamine?
2-N-(3-fluoropropyl)-6-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 185.21 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluoropropyl)-6-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 130532847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).