4-chloro-2-(2-fluoropropan-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-amine

C6H12ClFN4 — CID 146674786

IUPAC4-chloro-2-(2-fluoropropan-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-amine
SMILESCC(C)(F)C1NC(N)=NC(Cl)N1
InChIInChI=1S/C6H12ClFN4/c1-6(2,8)3-10-4(7)12-5(9)11-3/h3-4,10H,1-2H3,(H3,9,11,12)
InChIKeyIMYNZIJLOORIQI-UHFFFAOYSA-N
MW194.64 g/mol
LogP0.09
Rot. Bonds1

About 4-chloro-2-(2-fluoropropan-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-amine

4-chloro-2-(2-fluoropropan-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-amine (PubChem CID 146674786) has the molecular formula C6H12ClFN4 and a molecular weight of 194.64 g/mol. Its IUPAC name is 4-chloro-2-(2-fluoropropan-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-amine.

Molecular Properties

Compound Name4-chloro-2-(2-fluoropropan-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-amine
PubChem CID146674786
Molecular FormulaC6H12ClFN4
Molecular Weight194.64 g/mol
Exact Mass194.07
IUPAC Name4-chloro-2-(2-fluoropropan-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-amine
SMILESCC(C)(F)C1NC(N)=NC(Cl)N1
InChIInChI=1S/C6H12ClFN4/c1-6(2,8)3-10-4(7)12-5(9)11-3/h3-4,10H,1-2H3,(H3,9,11,12)
InChIKeyIMYNZIJLOORIQI-UHFFFAOYSA-N
XLogP0.09
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.64
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4-tetrahydro-1,3,5-triazine-2,4,6-triamine
CID 90706888
2,6-dimethyl-3,6-dihydro-2H-1,3,5-thiadiazin-4-amine
CID 12600795
3-tert-butyl-5-chloro-2-fluoro-4-(trifluoromethyl)aniline
CID 176776154
3-tert-butyl-5-chloro-2-methyl-4-(trifluoromethyl)aniline
CID 176800814
4-(methoxymethyl)-6-methyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 146674814
bis(3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-amine);bis(2,2,2-trifluoroacetic acid)
CID 175705660
5-(1,1-difluoroethyl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 84783642
6-amino-2-(trifluoromethyl)-1,3-diazinan-4-one
CID 78175987
2-amino-4-(2-methoxy-2-methylpropyl)-1,4-dihydroimidazol-5-one
CID 106676684
2-(2-fluoropropan-2-yl)azetidine
CID 105427113
3-cyclopropyl-3-fluoro-2-methylbutan-1-amine
CID 105428835
2-methyl-4-(trifluoromethyl)-2,3,4,5-tetrahydropyridin-6-amine;hydrochloride
CID 18428545

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-fluoropropan-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-amine?
The IUPAC name of 4-chloro-2-(2-fluoropropan-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-amine (CID 146674786) is 4-chloro-2-(2-fluoropropan-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-amine.
What is the SMILES notation for 4-chloro-2-(2-fluoropropan-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-amine?
The canonical SMILES for 4-chloro-2-(2-fluoropropan-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-amine is CC(C)(F)C1NC(N)=NC(Cl)N1.
What is the InChIKey of 4-chloro-2-(2-fluoropropan-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-amine?
The InChIKey is IMYNZIJLOORIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClFN4/c1-6(2,8)3-10-4(7)12-5(9)11-3/h3-4,10H,1-2H3,(H3,9,11,12).
What are the key properties of 4-chloro-2-(2-fluoropropan-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-amine?
4-chloro-2-(2-fluoropropan-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-amine has a molecular weight of 194.64 g/mol, XLogP of 0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-fluoropropan-2-yl)-1,2,3,4-tetrahydro-1,3,5-triazin-6-amine is sourced from PubChem (CID 146674786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).