2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol

C19H20F3N7O2 — CID 59548195

IUPAC2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol
SMILESCOc1ncc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cc1C(F)(F)F
InChIInChI=1S/C19H20F3N7O2/c1-9-26-15(29-17(23)27-9)12-5-10(18(2,3)30)7-24-14(12)28-11-6-13(19(20,21)22)16(31-4)25-8-11/h5-8,30H,1-4H3,(H,24,28)(H2,23,26,27,29)
InChIKeyDDKMFSTVGYJPSR-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.22
Rot. Bonds5

About 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol

2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol (PubChem CID 59548195) has the molecular formula C19H20F3N7O2 and a molecular weight of 435.41 g/mol. Its IUPAC name is 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol
PubChem CID59548195
Molecular FormulaC19H20F3N7O2
Molecular Weight435.41 g/mol
Exact Mass435.16
IUPAC Name2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol
SMILESCOc1ncc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cc1C(F)(F)F
InChIInChI=1S/C19H20F3N7O2/c1-9-26-15(29-17(23)27-9)12-5-10(18(2,3)30)7-24-14(12)28-11-6-13(19(20,21)22)16(31-4)25-8-11/h5-8,30H,1-4H3,(H,24,28)(H2,23,26,27,29)
InChIKeyDDKMFSTVGYJPSR-UHFFFAOYSA-N
XLogP3.22
TPSA131.96 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol?
The IUPAC name of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol (CID 59548195) is 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol is COc1ncc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cc1C(F)(F)F.
What is the InChIKey of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol?
The InChIKey is DDKMFSTVGYJPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7O2/c1-9-26-15(29-17(23)27-9)12-5-10(18(2,3)30)7-24-14(12)28-11-6-13(19(20,21)22)16(31-4)25-8-11/h5-8,30H,1-4H3,(H,24,28)(H2,23,26,27,29).
What are the key properties of 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol?
2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol has a molecular weight of 435.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]amino]-3-pyridinyl]propan-2-ol is sourced from PubChem (CID 59548195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).