2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol

C11H15F3N4O — CID 114565353

IUPAC2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESNc1nc(NCC2CCCC2O)cc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-4-9(18-10(15)17-8)16-5-6-2-1-3-7(6)19/h4,6-7,19H,1-3,5H2,(H3,15,16,17,18)
InChIKeyRUNLQEJPYJAPGP-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.65
Rot. Bonds3

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

2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 114565353) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
PubChem CID114565353
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESNc1nc(NCC2CCCC2O)cc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)8-4-9(18-10(15)17-8)16-5-6-2-1-3-7(6)19/h4,6-7,19H,1-3,5H2,(H3,15,16,17,18)
InChIKeyRUNLQEJPYJAPGP-UHFFFAOYSA-N
XLogP1.65
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (CID 114565353) is 2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is Nc1nc(NCC2CCCC2O)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is RUNLQEJPYJAPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)8-4-9(18-10(15)17-8)16-5-6-2-1-3-7(6)19/h4,6-7,19H,1-3,5H2,(H3,15,16,17,18).
What are the key properties of 2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 276.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114565353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).