2-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl-methylamino]ethanol

C13H23N5O — CID 91782827

IUPAC2-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl-methylamino]ethanol
SMILESCN(CCO)CCNc1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C13H23N5O/c1-18(4-5-19)3-2-15-13-8-12(16-9-17-13)10-6-11(14)7-10/h8-11,19H,2-7,14H2,1H3,(H,15,16,17)
InChIKeyQQTILJLMMZBMGB-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.02
Rot. Bonds7

About 2-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl-methylamino]ethanol

2-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl-methylamino]ethanol (PubChem CID 91782827) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl-methylamino]ethanol
PubChem CID91782827
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl-methylamino]ethanol
SMILESCN(CCO)CCNc1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C13H23N5O/c1-18(4-5-19)3-2-15-13-8-12(16-9-17-13)10-6-11(14)7-10/h8-11,19H,2-7,14H2,1H3,(H,15,16,17)
InChIKeyQQTILJLMMZBMGB-UHFFFAOYSA-N
XLogP0.02
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl-methylamino]ethanol?
The IUPAC name of 2-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl-methylamino]ethanol (CID 91782827) is 2-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl-methylamino]ethanol.
What is the SMILES notation for 2-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl-methylamino]ethanol?
The canonical SMILES for 2-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl-methylamino]ethanol is CN(CCO)CCNc1cc(C2CC(N)C2)ncn1.
What is the InChIKey of 2-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl-methylamino]ethanol?
The InChIKey is QQTILJLMMZBMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-18(4-5-19)3-2-15-13-8-12(16-9-17-13)10-6-11(14)7-10/h8-11,19H,2-7,14H2,1H3,(H,15,16,17).
What are the key properties of 2-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl-methylamino]ethanol?
2-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl-methylamino]ethanol has a molecular weight of 265.36 g/mol, XLogP of 0.02, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]ethyl-methylamino]ethanol is sourced from PubChem (CID 91782827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).