6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine

C18H19ClFN7 — CID 161224805

IUPAC6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)CNc1nc(Nc2ccnc(F)c2)nc(-c2cccc(Cl)n2)n1
InChIInChI=1S/C18H19ClFN7/c1-18(2,3)10-22-16-25-15(12-5-4-6-13(19)24-12)26-17(27-16)23-11-7-8-21-14(20)9-11/h4-9H,10H2,1-3H3,(H2,21,22,23,25,26,27)
InChIKeyLVQDOYYLCILHIO-UHFFFAOYSA-N
MW387.85 g/mol
LogP4.32
Rot. Bonds5

About 6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine

6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine (PubChem CID 161224805) has the molecular formula C18H19ClFN7 and a molecular weight of 387.85 g/mol. Its IUPAC name is 6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine
PubChem CID161224805
Molecular FormulaC18H19ClFN7
Molecular Weight387.85 g/mol
Exact Mass387.14
IUPAC Name6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)CNc1nc(Nc2ccnc(F)c2)nc(-c2cccc(Cl)n2)n1
InChIInChI=1S/C18H19ClFN7/c1-18(2,3)10-22-16-25-15(12-5-4-6-13(19)24-12)26-17(27-16)23-11-7-8-21-14(20)9-11/h4-9H,10H2,1-3H3,(H2,21,22,23,25,26,27)
InChIKeyLVQDOYYLCILHIO-UHFFFAOYSA-N
XLogP4.32
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

3-[[4-(6-chloro-2-pyridinyl)-6-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 166015400
4-N-propyl-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 162592292
4-N-(3-methoxypropyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 122653170
4-N-[(1-methylcyclobutyl)methyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 161264107
4-chloro-6-(6-methyl-2-pyridinyl)-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazin-2-amine
CID 126550728
4-N-(2-fluoro-4-pyridinyl)-2-N-(3-oxabicyclo[3.1.0]hex-1(6)-en-6-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 134388063
6-[6-(1,1-difluoroethyl)-2-pyridinyl]-4-N-(2-methylbutyl)-2-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 146867881
4-[[4-(2,2-dimethylpropylamino)-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazin-2-yl]amino]pyridine-2-carbonitrile
CID 122663732
3-[[4-[[2-(1,1-difluoroethyl)-4-pyridinyl]amino]-6-(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]amino]-3-methylbutanenitrile
CID 122449453
1,1,1,3,3,3-hexadeuterio-2-[dideuterio-[[4-[(2-methyl-4-pyridinyl)amino]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]methyl]propan-2-ol
CID 129060702
2-N-(1-methylcyclobutyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 161264106
4-N-[2-(4-chlorophenyl)-4-pyridinyl]-2-N-propan-2-yl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 146258670

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine (CID 161224805) is 6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine is CC(C)(C)CNc1nc(Nc2ccnc(F)c2)nc(-c2cccc(Cl)n2)n1.
What is the InChIKey of 6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LVQDOYYLCILHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN7/c1-18(2,3)10-22-16-25-15(12-5-4-6-13(19)24-12)26-17(27-16)23-11-7-8-21-14(20)9-11/h4-9H,10H2,1-3H3,(H2,21,22,23,25,26,27).
What are the key properties of 6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine?
6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 387.85 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-2-pyridinyl)-4-N-(2,2-dimethylpropyl)-2-N-(2-fluoro-4-pyridinyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 161224805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).