3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

C13H18N6O — CID 91769346

IUPAC3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(NCCn2ccnn2)cc(C2CC(O)C2)n1
InChIInChI=1S/C13H18N6O/c1-9-16-12(10-6-11(20)7-10)8-13(17-9)14-2-4-19-5-3-15-18-19/h3,5,8,10-11,20H,2,4,6-7H2,1H3,(H,14,16,17)
InChIKeyIEJSZBBHRDXLSI-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.73
Rot. Bonds5

About 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91769346) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91769346
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(NCCn2ccnn2)cc(C2CC(O)C2)n1
InChIInChI=1S/C13H18N6O/c1-9-16-12(10-6-11(20)7-10)8-13(17-9)14-2-4-19-5-3-15-18-19/h3,5,8,10-11,20H,2,4,6-7H2,1H3,(H,14,16,17)
InChIKeyIEJSZBBHRDXLSI-UHFFFAOYSA-N
XLogP0.73
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]piperidin-4-ol
CID 91762966
N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-methylpropanamide
CID 91790847
3-[6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
CID 91762907
6-(3-aminocyclobutyl)-2-methyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidin-4-amine;dihydrochloride
CID 154902254
6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902328
3-[6-[3-(4-methoxyphenyl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
CID 91793673
2-methyl-6-[2-(triazol-1-yl)ethylamino]pyridine-3-carboxylic acid
CID 113412914
3-[2-methyl-6-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91773337
6-methoxy-4-N-[2-(triazol-1-yl)ethyl]pyrimidine-2,4-diamine
CID 114053221
3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91761176
3-methyl-N-[2-(triazol-1-yl)ethyl]-1,2,4-oxadiazol-5-amine
CID 106659902
6-ethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine
CID 133449281

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91769346) is 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(NCCn2ccnn2)cc(C2CC(O)C2)n1.
What is the InChIKey of 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is IEJSZBBHRDXLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-9-16-12(10-6-11(20)7-10)8-13(17-9)14-2-4-19-5-3-15-18-19/h3,5,8,10-11,20H,2,4,6-7H2,1H3,(H,14,16,17).
What are the key properties of 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 274.33 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-[2-(triazol-1-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91769346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).