2-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyridin-3-ol

C13H14F3N5O — CID 146076114

IUPAC2-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyridin-3-ol
SMILESCN(C)c1cc(C(F)(F)F)nc(NCc2ncccc2O)n1
InChIInChI=1S/C13H14F3N5O/c1-21(2)11-6-10(13(14,15)16)19-12(20-11)18-7-8-9(22)4-3-5-17-8/h3-6,22H,7H2,1-2H3,(H,18,19,20)
InChIKeyNSXIZAARDIMOKU-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.27
Rot. Bonds4

About 2-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyridin-3-ol

2-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyridin-3-ol (PubChem CID 146076114) has the molecular formula C13H14F3N5O and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyridin-3-ol
PubChem CID146076114
Molecular FormulaC13H14F3N5O
Molecular Weight313.28 g/mol
Exact Mass313.12
IUPAC Name2-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyridin-3-ol
SMILESCN(C)c1cc(C(F)(F)F)nc(NCc2ncccc2O)n1
InChIInChI=1S/C13H14F3N5O/c1-21(2)11-6-10(13(14,15)16)19-12(20-11)18-7-8-9(22)4-3-5-17-8/h3-6,22H,7H2,1-2H3,(H,18,19,20)
InChIKeyNSXIZAARDIMOKU-UHFFFAOYSA-N
XLogP2.27
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyridin-3-ol?
The IUPAC name of 2-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyridin-3-ol (CID 146076114) is 2-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyridin-3-ol.
What is the SMILES notation for 2-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyridin-3-ol?
The canonical SMILES for 2-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyridin-3-ol is CN(C)c1cc(C(F)(F)F)nc(NCc2ncccc2O)n1.
What is the InChIKey of 2-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyridin-3-ol?
The InChIKey is NSXIZAARDIMOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O/c1-21(2)11-6-10(13(14,15)16)19-12(20-11)18-7-8-9(22)4-3-5-17-8/h3-6,22H,7H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyridin-3-ol?
2-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyridin-3-ol has a molecular weight of 313.28 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]pyridin-3-ol is sourced from PubChem (CID 146076114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).