6-chloro-4-N-propan-2-yl-2-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine

C9H13ClF3N5 — CID 14822106

IUPAC6-chloro-4-N-propan-2-yl-2-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(Cl)nc(N[C@@H](C)C(F)(F)F)n1
InChIInChI=1S/C9H13ClF3N5/c1-4(2)14-7-16-6(10)17-8(18-7)15-5(3)9(11,12)13/h4-5H,1-3H3,(H2,14,15,16,17,18)/t5-/m0/s1
InChIKeyHEGCNDKBDVZEST-YFKPBYRVSA-N
MW283.69 g/mol
LogP2.71
Rot. Bonds4

About 6-chloro-4-N-propan-2-yl-2-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine

6-chloro-4-N-propan-2-yl-2-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 14822106) has the molecular formula C9H13ClF3N5 and a molecular weight of 283.69 g/mol. Its IUPAC name is 6-chloro-4-N-propan-2-yl-2-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-propan-2-yl-2-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID14822106
Molecular FormulaC9H13ClF3N5
Molecular Weight283.69 g/mol
Exact Mass283.08
IUPAC Name6-chloro-4-N-propan-2-yl-2-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(Cl)nc(N[C@@H](C)C(F)(F)F)n1
InChIInChI=1S/C9H13ClF3N5/c1-4(2)14-7-16-6(10)17-8(18-7)15-5(3)9(11,12)13/h4-5H,1-3H3,(H2,14,15,16,17,18)/t5-/m0/s1
InChIKeyHEGCNDKBDVZEST-YFKPBYRVSA-N
XLogP2.71
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.69
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-propan-2-yl-2-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-propan-2-yl-2-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine (CID 14822106) is 6-chloro-4-N-propan-2-yl-2-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-propan-2-yl-2-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-propan-2-yl-2-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(Cl)nc(N[C@@H](C)C(F)(F)F)n1.
What is the InChIKey of 6-chloro-4-N-propan-2-yl-2-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is HEGCNDKBDVZEST-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H13ClF3N5/c1-4(2)14-7-16-6(10)17-8(18-7)15-5(3)9(11,12)13/h4-5H,1-3H3,(H2,14,15,16,17,18)/t5-/m0/s1.
What are the key properties of 6-chloro-4-N-propan-2-yl-2-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-propan-2-yl-2-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 283.69 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-propan-2-yl-2-N-[(2S)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14822106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).