6-(6-chloro-3,4-dideuterio-2-pyridinyl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine

C14H16ClF3N6 — CID 160677400

IUPAC6-(6-chloro-3,4-dideuterio-2-pyridinyl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
SMILES[2H]c1cc(Cl)nc(-c2nc(NC(C)C)nc(N[C@H](C([2H])([2H])[2H])C(F)(F)F)n2)c1[2H]
InChIInChI=1S/C14H16ClF3N6/c1-7(2)19-12-22-11(9-5-4-6-10(15)21-9)23-13(24-12)20-8(3)14(16,17)18/h4-8H,1-3H3,(H2,19,20,22,23,24)/t8-/m1/s1/i3D3,4D,5D
InChIKeyRNRZVAYHMLFMHU-LDNCHGHBSA-N
MW365.80 g/mol
LogP3.77
Rot. Bonds6

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

6-(6-chloro-3,4-dideuterio-2-pyridinyl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 160677400) has the molecular formula C14H16ClF3N6 and a molecular weight of 365.80 g/mol. Its IUPAC name is 6-(6-chloro-3,4-dideuterio-2-pyridinyl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(6-chloro-3,4-dideuterio-2-pyridinyl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID160677400
Molecular FormulaC14H16ClF3N6
Molecular Weight365.80 g/mol
Exact Mass365.14
IUPAC Name6-(6-chloro-3,4-dideuterio-2-pyridinyl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
SMILES[2H]c1cc(Cl)nc(-c2nc(NC(C)C)nc(N[C@H](C([2H])([2H])[2H])C(F)(F)F)n2)c1[2H]
InChIInChI=1S/C14H16ClF3N6/c1-7(2)19-12-22-11(9-5-4-6-10(15)21-9)23-13(24-12)20-8(3)14(16,17)18/h4-8H,1-3H3,(H2,19,20,22,23,24)/t8-/m1/s1/i3D3,4D,5D
InChIKeyRNRZVAYHMLFMHU-LDNCHGHBSA-N
XLogP3.77
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-3,4-dideuterio-2-pyridinyl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(6-chloro-3,4-dideuterio-2-pyridinyl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine (CID 160677400) is 6-(6-chloro-3,4-dideuterio-2-pyridinyl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(6-chloro-3,4-dideuterio-2-pyridinyl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(6-chloro-3,4-dideuterio-2-pyridinyl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine is [2H]c1cc(Cl)nc(-c2nc(NC(C)C)nc(N[C@H](C([2H])([2H])[2H])C(F)(F)F)n2)c1[2H].
What is the InChIKey of 6-(6-chloro-3,4-dideuterio-2-pyridinyl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is RNRZVAYHMLFMHU-LDNCHGHBSA-N. The full InChI is InChI=1S/C14H16ClF3N6/c1-7(2)19-12-22-11(9-5-4-6-10(15)21-9)23-13(24-12)20-8(3)14(16,17)18/h4-8H,1-3H3,(H2,19,20,22,23,24)/t8-/m1/s1/i3D3,4D,5D.
What are the key properties of 6-(6-chloro-3,4-dideuterio-2-pyridinyl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
6-(6-chloro-3,4-dideuterio-2-pyridinyl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 365.80 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-3,4-dideuterio-2-pyridinyl)-4-N-propan-2-yl-2-N-[(2R)-1,1,1-trideuterio-3,3,3-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 160677400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).