6-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine

C6H8F3N5 — CID 162483941

IUPAC6-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESC[C@H](c1nc(N)nc(N)n1)C(F)(F)F
InChIInChI=1S/C6H8F3N5/c1-2(6(7,8)9)3-12-4(10)14-5(11)13-3/h2H,1H3,(H4,10,11,12,13,14)/t2-/m1/s1
InChIKeyZPZLTUFWYWFBDB-UWTATZPHSA-N
MW207.16 g/mol
LogP0.70
Rot. Bonds1

About 6-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine

6-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 162483941) has the molecular formula C6H8F3N5 and a molecular weight of 207.16 g/mol. Its IUPAC name is 6-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID162483941
Molecular FormulaC6H8F3N5
Molecular Weight207.16 g/mol
Exact Mass207.07
IUPAC Name6-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESC[C@H](c1nc(N)nc(N)n1)C(F)(F)F
InChIInChI=1S/C6H8F3N5/c1-2(6(7,8)9)3-12-4(10)14-5(11)13-3/h2H,1H3,(H4,10,11,12,13,14)/t2-/m1/s1
InChIKeyZPZLTUFWYWFBDB-UWTATZPHSA-N
XLogP0.70
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-bromoethyl)-1,3,5-triazine-2,4-diamine
CID 21402743
2-N-ethyl-2-N-thiophen-2-yl-6-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 18681498
6-(difluoromethyl)-1,3,5-triazine-2,4-diamine
CID 44725305
2-[(2R)-1,1,1-trifluoropropan-2-yl]pyrimidine
CID 68761664
1,3,5-triazine-2,4,6-triamine
CID 22011128
1,3,5-triazine-2,4,6-triamine
CID 67592325
1,3,5-triazine-2,4,6-triamine
CID 67883493
6-(1-amino-3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 130568154
cerium;1,3,5-triazine-2,4,6-triamine
CID 161330303
4-(3,5-difluorophenyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 55251714
4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 82192734
azane;cobalt;1,3,5-triazine-2,4,6-triamine
CID 172711382

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine (CID 162483941) is 6-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine is C[C@H](c1nc(N)nc(N)n1)C(F)(F)F.
What is the InChIKey of 6-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ZPZLTUFWYWFBDB-UWTATZPHSA-N. The full InChI is InChI=1S/C6H8F3N5/c1-2(6(7,8)9)3-12-4(10)14-5(11)13-3/h2H,1H3,(H4,10,11,12,13,14)/t2-/m1/s1.
What are the key properties of 6-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
6-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 207.16 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 162483941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).