[2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol

C12H17F3N4O — CID 114565356

IUPAC[2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
SMILESNc1nc(NCC2CCCC2CO)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)9-4-10(19-11(16)18-9)17-5-7-2-1-3-8(7)6-20/h4,7-8,20H,1-3,5-6H2,(H3,16,17,18,19)
InChIKeyRKXRFSCHQKRHOX-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.90
Rot. Bonds4

About [2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol

[2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol (PubChem CID 114565356) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is [2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
PubChem CID114565356
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name[2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
SMILESNc1nc(NCC2CCCC2CO)cc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)9-4-10(19-11(16)18-9)17-5-7-2-1-3-8(7)6-20/h4,7-8,20H,1-3,5-6H2,(H3,16,17,18,19)
InChIKeyRKXRFSCHQKRHOX-UHFFFAOYSA-N
XLogP1.90
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.90
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]cyclopentyl]methanol?
The IUPAC name of [2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol (CID 114565356) is [2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol is Nc1nc(NCC2CCCC2CO)cc(C(F)(F)F)n1.
What is the InChIKey of [2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
The InChIKey is RKXRFSCHQKRHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)9-4-10(19-11(16)18-9)17-5-7-2-1-3-8(7)6-20/h4,7-8,20H,1-3,5-6H2,(H3,16,17,18,19).
What are the key properties of [2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
[2-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol has a molecular weight of 290.29 g/mol, XLogP of 1.90, 4 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]cyclopentyl]methanol is sourced from PubChem (CID 114565356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).