(1R)-2-fluoro-3-[4-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol

C16H23F4N5O — CID 166860188

IUPAC(1R)-2-fluoro-3-[4-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
SMILESCC(C)Nc1nc(C2=C(F)[C@H](O)CCC2)nc(N(C)[C@H](C)C(F)(F)F)n1
InChIInChI=1S/C16H23F4N5O/c1-8(2)21-14-22-13(10-6-5-7-11(26)12(10)17)23-15(24-14)25(4)9(3)16(18,19)20/h8-9,11,26H,5-7H2,1-4H3,(H,21,22,23,24)/t9-,11-/m1/s1
InChIKeyPJMWFPQNLQVSLP-MWLCHTKSSA-N
MW377.39 g/mol
LogP3.30
Rot. Bonds5

About (1R)-2-fluoro-3-[4-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol

(1R)-2-fluoro-3-[4-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol (PubChem CID 166860188) has the molecular formula C16H23F4N5O and a molecular weight of 377.39 g/mol. Its IUPAC name is (1R)-2-fluoro-3-[4-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R)-2-fluoro-3-[4-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
PubChem CID166860188
Molecular FormulaC16H23F4N5O
Molecular Weight377.39 g/mol
Exact Mass377.18
IUPAC Name(1R)-2-fluoro-3-[4-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol
SMILESCC(C)Nc1nc(C2=C(F)[C@H](O)CCC2)nc(N(C)[C@H](C)C(F)(F)F)n1
InChIInChI=1S/C16H23F4N5O/c1-8(2)21-14-22-13(10-6-5-7-11(26)12(10)17)23-15(24-14)25(4)9(3)16(18,19)20/h8-9,11,26H,5-7H2,1-4H3,(H,21,22,23,24)/t9-,11-/m1/s1
InChIKeyPJMWFPQNLQVSLP-MWLCHTKSSA-N
XLogP3.30
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R)-2-fluoro-3-[4-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-fluoro-3-[4-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
The IUPAC name of (1R)-2-fluoro-3-[4-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol (CID 166860188) is (1R)-2-fluoro-3-[4-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol.
What is the SMILES notation for (1R)-2-fluoro-3-[4-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
The canonical SMILES for (1R)-2-fluoro-3-[4-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol is CC(C)Nc1nc(C2=C(F)[C@H](O)CCC2)nc(N(C)[C@H](C)C(F)(F)F)n1.
What is the InChIKey of (1R)-2-fluoro-3-[4-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
The InChIKey is PJMWFPQNLQVSLP-MWLCHTKSSA-N. The full InChI is InChI=1S/C16H23F4N5O/c1-8(2)21-14-22-13(10-6-5-7-11(26)12(10)17)23-15(24-14)25(4)9(3)16(18,19)20/h8-9,11,26H,5-7H2,1-4H3,(H,21,22,23,24)/t9-,11-/m1/s1.
What are the key properties of (1R)-2-fluoro-3-[4-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol?
(1R)-2-fluoro-3-[4-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol has a molecular weight of 377.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-fluoro-3-[4-[methyl-[(2R)-1,1,1-trifluoropropan-2-yl]amino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]cyclohex-2-en-1-ol is sourced from PubChem (CID 166860188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).