3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol

C11H18N4O — CID 80856004

IUPAC3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCCNc1ncnc(NC2CC(O)C2)c1C
InChIInChI=1S/C11H18N4O/c1-3-12-10-7(2)11(14-6-13-10)15-8-4-9(16)5-8/h6,8-9,16H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyGCPSHXTYLSEWMB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.15
Rot. Bonds4

About 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol

3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol (PubChem CID 80856004) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol
PubChem CID80856004
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol
SMILESCCNc1ncnc(NC2CC(O)C2)c1C
InChIInChI=1S/C11H18N4O/c1-3-12-10-7(2)11(14-6-13-10)15-8-4-9(16)5-8/h6,8-9,16H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyGCPSHXTYLSEWMB-UHFFFAOYSA-N
XLogP1.15
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol with MolForge

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Related Compounds

4-N-(3,5-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80841234
3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80855861
4-N-(3,4-dimethylcyclohexyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80840348
6-N-ethyl-5-methyl-4-N-(oxan-4-yl)pyrimidine-4,6-diamine
CID 80789183
4-N-(2,2-dimethylcyclopropyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80819298
3-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 80856330
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80777662
6-N-ethyl-5-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrimidine-4,6-diamine
CID 80853390
3-[[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]cyclobutan-1-ol
CID 80855486
3-[[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 80922260
4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 103466542
4-N-(3,5-dimethylcyclohexyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80840621

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol?
The IUPAC name of 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol (CID 80856004) is 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol?
The canonical SMILES for 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol is CCNc1ncnc(NC2CC(O)C2)c1C.
What is the InChIKey of 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol?
The InChIKey is GCPSHXTYLSEWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-12-10-7(2)11(14-6-13-10)15-8-4-9(16)5-8/h6,8-9,16H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol?
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol has a molecular weight of 222.29 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]cyclobutan-1-ol is sourced from PubChem (CID 80856004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).