4,6-difluoro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine

C9H14F2N4 — CID 54010620

IUPAC4,6-difluoro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)N(c1nc(F)nc(F)n1)C(C)C
InChIInChI=1S/C9H14F2N4/c1-5(2)15(6(3)4)9-13-7(10)12-8(11)14-9/h5-6H,1-4H3
InChIKeyKSBXUSNEMGSNDQ-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.77
Rot. Bonds3

About 4,6-difluoro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine

4,6-difluoro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 54010620) has the molecular formula C9H14F2N4 and a molecular weight of 216.23 g/mol. Its IUPAC name is 4,6-difluoro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-difluoro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine
PubChem CID54010620
Molecular FormulaC9H14F2N4
Molecular Weight216.23 g/mol
Exact Mass216.12
IUPAC Name4,6-difluoro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)N(c1nc(F)nc(F)n1)C(C)C
InChIInChI=1S/C9H14F2N4/c1-5(2)15(6(3)4)9-13-7(10)12-8(11)14-9/h5-6H,1-4H3
InChIKeyKSBXUSNEMGSNDQ-UHFFFAOYSA-N
XLogP1.77
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-Tris(diethylamino)-1,3,5-triazine
CID 17806
2-N,2-N-Diethyl-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
CID 27777
s-Triazine, 2,4-bis(diethylamino)-6-fluoro-
CID 15334
4,6-Dichloro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine
CID 13961052
6-Chloro-n-ethyl-n-(1-methylethyl)-1,3,5-triazine-2,4-diamine
CID 18757620
6-Chloro-N2,N2,N4,N4-tetrakis(1-methylethyl)-1,3,5-triazine-2,4-diamine
CID 21443681
N,N-Dibutyl-4,6-difluoro-1,3,5-triazin-2-amine
CID 13628700
N,N-Diethyl-4,6-difluoro-1,3,5-triazin-2-amine
CID 13765583
Dicyano-(4,6-difluoro-1,3,5-triazin-2-yl)-ethylazanium
CID 20337630
6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 20453895
4,6-Difluoro-N,N-dipropyl-1,3,5-triazin-2-amine
CID 53692437
4,6-difluoro-N,N-dihexyl-1,3,5-triazin-2-amine
CID 54181313

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-difluoro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine (CID 54010620) is 4,6-difluoro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-difluoro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-difluoro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine is CC(C)N(c1nc(F)nc(F)n1)C(C)C.
What is the InChIKey of 4,6-difluoro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is KSBXUSNEMGSNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N4/c1-5(2)15(6(3)4)9-13-7(10)12-8(11)14-9/h5-6H,1-4H3.
What are the key properties of 4,6-difluoro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine?
4,6-difluoro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 216.23 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-N,N-di(propan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 54010620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).