3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclobutan-1-ol

C10H15N3O2 — CID 66326324

IUPAC3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclobutan-1-ol
SMILESCOc1cc(NC2CC(O)C2)nc(C)n1
InChIInChI=1S/C10H15N3O2/c1-6-11-9(5-10(12-6)15-2)13-7-3-8(14)4-7/h5,7-8,14H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyZKDLFTXSBYHDDB-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.73
Rot. Bonds3

About 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclobutan-1-ol

3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclobutan-1-ol (PubChem CID 66326324) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclobutan-1-ol
PubChem CID66326324
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclobutan-1-ol
SMILESCOc1cc(NC2CC(O)C2)nc(C)n1
InChIInChI=1S/C10H15N3O2/c1-6-11-9(5-10(12-6)15-2)13-7-3-8(14)4-7/h5,7-8,14H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyZKDLFTXSBYHDDB-UHFFFAOYSA-N
XLogP0.73
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclobutan-1-ol?
The IUPAC name of 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclobutan-1-ol (CID 66326324) is 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclobutan-1-ol?
The canonical SMILES for 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclobutan-1-ol is COc1cc(NC2CC(O)C2)nc(C)n1.
What is the InChIKey of 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclobutan-1-ol?
The InChIKey is ZKDLFTXSBYHDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6-11-9(5-10(12-6)15-2)13-7-3-8(14)4-7/h5,7-8,14H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclobutan-1-ol?
3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclobutan-1-ol has a molecular weight of 209.25 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]cyclobutan-1-ol is sourced from PubChem (CID 66326324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).