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

C15H17F3N6O — CID 91779721

IUPAC3-[2-amino-6-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cc(C(F)(F)F)nc(CNc2cc(C3CC(O)C3)nc(N)n2)n1
InChIInChI=1S/C15H17F3N6O/c1-7-2-11(15(16,17)18)23-13(21-7)6-20-12-5-10(22-14(19)24-12)8-3-9(25)4-8/h2,5,8-9,25H,3-4,6H2,1H3,(H3,19,20,22,24)
InChIKeyNYORIRIWAGYBLX-UHFFFAOYSA-N
MW354.34 g/mol
LogP2.03
Rot. Bonds4

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

3-[2-amino-6-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91779721) has the molecular formula C15H17F3N6O and a molecular weight of 354.34 g/mol. Its IUPAC name is 3-[2-amino-6-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91779721
Molecular FormulaC15H17F3N6O
Molecular Weight354.34 g/mol
Exact Mass354.14
IUPAC Name3-[2-amino-6-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1cc(C(F)(F)F)nc(CNc2cc(C3CC(O)C3)nc(N)n2)n1
InChIInChI=1S/C15H17F3N6O/c1-7-2-11(15(16,17)18)23-13(21-7)6-20-12-5-10(22-14(19)24-12)8-3-9(25)4-8/h2,5,8-9,25H,3-4,6H2,1H3,(H3,19,20,22,24)
InChIKeyNYORIRIWAGYBLX-UHFFFAOYSA-N
XLogP2.03
TPSA109.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91779721) is 3-[2-amino-6-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1cc(C(F)(F)F)nc(CNc2cc(C3CC(O)C3)nc(N)n2)n1.
What is the InChIKey of 3-[2-amino-6-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is NYORIRIWAGYBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O/c1-7-2-11(15(16,17)18)23-13(21-7)6-20-12-5-10(22-14(19)24-12)8-3-9(25)4-8/h2,5,8-9,25H,3-4,6H2,1H3,(H3,19,20,22,24).
What are the key properties of 3-[2-amino-6-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 354.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91779721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).