2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine

C15H25F3N6 — CID 171358992

IUPAC2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(N[C@H]2CCCN(CC(F)(F)F)C2)nc(N(C)C)n1
InChIInChI=1S/C15H25F3N6/c1-10(2)12-20-13(22-14(21-12)23(3)4)19-11-6-5-7-24(8-11)9-15(16,17)18/h10-11H,5-9H2,1-4H3,(H,19,20,21,22)/t11-/m0/s1
InChIKeyJHGZPKUHSASHRX-NSHDSACASA-N
MW346.40 g/mol
LogP2.50
Rot. Bonds5

About 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 171358992) has the molecular formula C15H25F3N6 and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine
PubChem CID171358992
Molecular FormulaC15H25F3N6
Molecular Weight346.40 g/mol
Exact Mass346.21
IUPAC Name2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)c1nc(N[C@H]2CCCN(CC(F)(F)F)C2)nc(N(C)C)n1
InChIInChI=1S/C15H25F3N6/c1-10(2)12-20-13(22-14(21-12)23(3)4)19-11-6-5-7-24(8-11)9-15(16,17)18/h10-11H,5-9H2,1-4H3,(H,19,20,21,22)/t11-/m0/s1
InChIKeyJHGZPKUHSASHRX-NSHDSACASA-N
XLogP2.50
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine (CID 171358992) is 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine is CC(C)c1nc(N[C@H]2CCCN(CC(F)(F)F)C2)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is JHGZPKUHSASHRX-NSHDSACASA-N. The full InChI is InChI=1S/C15H25F3N6/c1-10(2)12-20-13(22-14(21-12)23(3)4)19-11-6-5-7-24(8-11)9-15(16,17)18/h10-11H,5-9H2,1-4H3,(H,19,20,21,22)/t11-/m0/s1.
What are the key properties of 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 346.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-propan-2-yl-4-N-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171358992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).