2-[1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol

C14H21F3N4O — CID 133376075

IUPAC2-[1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol
SMILESCN(C)c1cc(C(F)(F)F)nc(NCC2(CCO)CCC2)n1
InChIInChI=1S/C14H21F3N4O/c1-21(2)11-8-10(14(15,16)17)19-12(20-11)18-9-13(6-7-22)4-3-5-13/h8,22H,3-7,9H2,1-2H3,(H,18,19,20)
InChIKeyQKRKAXLSPUHVHP-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.53
Rot. Bonds6

About 2-[1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol

2-[1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol (PubChem CID 133376075) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-[1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol.

Molecular Properties

Compound Name2-[1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol
PubChem CID133376075
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name2-[1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol
SMILESCN(C)c1cc(C(F)(F)F)nc(NCC2(CCO)CCC2)n1
InChIInChI=1S/C14H21F3N4O/c1-21(2)11-8-10(14(15,16)17)19-12(20-11)18-9-13(6-7-22)4-3-5-13/h8,22H,3-7,9H2,1-2H3,(H,18,19,20)
InChIKeyQKRKAXLSPUHVHP-UHFFFAOYSA-N
XLogP2.53
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol with MolForge

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Related Compounds

2-N-[(1-methoxycyclobutyl)methyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133460079
1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-2-ethylsulfanylcyclobutan-1-ol
CID 133358015
3-[2-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]ethylsulfanyl]propan-1-ol
CID 111104935
2-[ethyl-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564255
(2S)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol
CID 95771269
(2R)-1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxypropan-2-ol
CID 95771270
4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565958
4-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-N,N-diethylbenzamide
CID 78870763
2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564596
4-N,4-N-dimethyl-2-N-[2-(4-methylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133289533
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 105418954
4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107403023

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol?
The IUPAC name of 2-[1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol (CID 133376075) is 2-[1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol.
What is the SMILES notation for 2-[1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol?
The canonical SMILES for 2-[1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol is CN(C)c1cc(C(F)(F)F)nc(NCC2(CCO)CCC2)n1.
What is the InChIKey of 2-[1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol?
The InChIKey is QKRKAXLSPUHVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-21(2)11-8-10(14(15,16)17)19-12(20-11)18-9-13(6-7-22)4-3-5-13/h8,22H,3-7,9H2,1-2H3,(H,18,19,20).
What are the key properties of 2-[1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol?
2-[1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol has a molecular weight of 318.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclobutyl]ethanol is sourced from PubChem (CID 133376075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).