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

C13H19F3N4O — CID 114565357

IUPAC[2-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
SMILESCNc1nc(NCC2CCCC2CO)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-17-12-19-10(13(14,15)16)5-11(20-12)18-6-8-3-2-4-9(8)7-21/h5,8-9,21H,2-4,6-7H2,1H3,(H2,17,18,19,20)
InChIKeyOWKVJMGBMRNMMC-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.36
Rot. Bonds5

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

[2-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol (PubChem CID 114565357) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is [2-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[2-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
PubChem CID114565357
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name[2-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
SMILESCNc1nc(NCC2CCCC2CO)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-17-12-19-10(13(14,15)16)5-11(20-12)18-6-8-3-2-4-9(8)7-21/h5,8-9,21H,2-4,6-7H2,1H3,(H2,17,18,19,20)
InChIKeyOWKVJMGBMRNMMC-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
The IUPAC name of [2-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol (CID 114565357) is [2-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [2-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [2-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol is CNc1nc(NCC2CCCC2CO)cc(C(F)(F)F)n1.
What is the InChIKey of [2-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
The InChIKey is OWKVJMGBMRNMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-17-12-19-10(13(14,15)16)5-11(20-12)18-6-8-3-2-4-9(8)7-21/h5,8-9,21H,2-4,6-7H2,1H3,(H2,17,18,19,20).
What are the key properties of [2-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol?
[2-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol has a molecular weight of 304.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol is sourced from PubChem (CID 114565357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).