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

C13H19F3N4O — CID 106137979

IUPAC3-[[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCCNc1nc(NCC2CCC(O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-2-17-12-19-10(13(14,15)16)6-11(20-12)18-7-8-3-4-9(21)5-8/h6,8-9,21H,2-5,7H2,1H3,(H2,17,18,19,20)
InChIKeyFDSDDGUIDRGYDF-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.50
Rot. Bonds5

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

3-[[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 106137979) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 3-[[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
PubChem CID106137979
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name3-[[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
SMILESCCNc1nc(NCC2CCC(O)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-2-17-12-19-10(13(14,15)16)6-11(20-12)18-7-8-3-4-9(21)5-8/h6,8-9,21H,2-5,7H2,1H3,(H2,17,18,19,20)
InChIKeyFDSDDGUIDRGYDF-UHFFFAOYSA-N
XLogP2.50
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol (CID 106137979) is 3-[[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is CCNc1nc(NCC2CCC(O)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 3-[[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is FDSDDGUIDRGYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-17-12-19-10(13(14,15)16)6-11(20-12)18-7-8-3-4-9(21)5-8/h6,8-9,21H,2-5,7H2,1H3,(H2,17,18,19,20).
What are the key properties of 3-[[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol?
3-[[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 304.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106137979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).