2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol

C14H24N4O — CID 80960291

IUPAC2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
SMILESCNc1cc(N(CCO)C2CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C14H24N4O/c1-14(2,3)13-16-11(15-4)9-12(17-13)18(7-8-19)10-5-6-10/h9-10,19H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyRVCAFBIGZQPHBV-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.78
Rot. Bonds5

About 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol

2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol (PubChem CID 80960291) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
PubChem CID80960291
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
SMILESCNc1cc(N(CCO)C2CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C14H24N4O/c1-14(2,3)13-16-11(15-4)9-12(17-13)18(7-8-19)10-5-6-10/h9-10,19H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyRVCAFBIGZQPHBV-UHFFFAOYSA-N
XLogP1.78
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol?
The IUPAC name of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol (CID 80960291) is 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol?
The canonical SMILES for 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol is CNc1cc(N(CCO)C2CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol?
The InChIKey is RVCAFBIGZQPHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)13-16-11(15-4)9-12(17-13)18(7-8-19)10-5-6-10/h9-10,19H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol?
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol has a molecular weight of 264.37 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol is sourced from PubChem (CID 80960291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).