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

C11H14F3N3O — CID 61223875

IUPAC1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclopentan-1-ol
SMILESOC1(CNc2nccc(C(F)(F)F)n2)CCCC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-3-6-15-9(17-8)16-7-10(18)4-1-2-5-10/h3,6,18H,1-2,4-5,7H2,(H,15,16,17)
InChIKeyFFBJUSCXACCURQ-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.21
Rot. Bonds3

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

1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 61223875) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclopentan-1-ol
PubChem CID61223875
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclopentan-1-ol
SMILESOC1(CNc2nccc(C(F)(F)F)n2)CCCC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-3-6-15-9(17-8)16-7-10(18)4-1-2-5-10/h3,6,18H,1-2,4-5,7H2,(H,15,16,17)
InChIKeyFFBJUSCXACCURQ-UHFFFAOYSA-N
XLogP2.21
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclopentan-1-ol (CID 61223875) is 1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclopentan-1-ol is OC1(CNc2nccc(C(F)(F)F)n2)CCCC1.
What is the InChIKey of 1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is FFBJUSCXACCURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)8-3-6-15-9(17-8)16-7-10(18)4-1-2-5-10/h3,6,18H,1-2,4-5,7H2,(H,15,16,17).
What are the key properties of 1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclopentan-1-ol?
1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 261.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 61223875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).