3-[2-methyl-6-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

C17H20F3N5O — CID 91787251

IUPAC3-[2-methyl-6-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cc(C(F)(F)F)nc(CCNc2cc(C3CC(O)C3)nc(C)n2)n1
InChIInChI=1S/C17H20F3N5O/c1-9-5-14(17(18,19)20)25-15(22-9)3-4-21-16-8-13(23-10(2)24-16)11-6-12(26)7-11/h5,8,11-12,26H,3-4,6-7H2,1-2H3,(H,21,23,24)
InChIKeyWMYLGFVWVQMPCG-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.80
Rot. Bonds5

About 3-[2-methyl-6-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-methyl-6-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91787251) has the molecular formula C17H20F3N5O and a molecular weight of 367.38 g/mol. Its IUPAC name is 3-[2-methyl-6-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-methyl-6-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91787251
Molecular FormulaC17H20F3N5O
Molecular Weight367.38 g/mol
Exact Mass367.16
IUPAC Name3-[2-methyl-6-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cc(C(F)(F)F)nc(CCNc2cc(C3CC(O)C3)nc(C)n2)n1
InChIInChI=1S/C17H20F3N5O/c1-9-5-14(17(18,19)20)25-15(22-9)3-4-21-16-8-13(23-10(2)24-16)11-6-12(26)7-11/h5,8,11-12,26H,3-4,6-7H2,1-2H3,(H,21,23,24)
InChIKeyWMYLGFVWVQMPCG-UHFFFAOYSA-N
XLogP2.80
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-methyl-6-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-methyl-6-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91787251) is 3-[2-methyl-6-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-methyl-6-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-methyl-6-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1cc(C(F)(F)F)nc(CCNc2cc(C3CC(O)C3)nc(C)n2)n1.
What is the InChIKey of 3-[2-methyl-6-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is WMYLGFVWVQMPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O/c1-9-5-14(17(18,19)20)25-15(22-9)3-4-21-16-8-13(23-10(2)24-16)11-6-12(26)7-11/h5,8,11-12,26H,3-4,6-7H2,1-2H3,(H,21,23,24).
What are the key properties of 3-[2-methyl-6-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-methyl-6-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 367.38 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91787251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).