3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclobutan-1-ol

C11H17N3O — CID 75506056

IUPAC3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclobutan-1-ol
SMILESCc1cc(N(C)[C@H]2C[C@H](O)C2)nc(C)n1
InChIInChI=1S/C11H17N3O/c1-7-4-11(13-8(2)12-7)14(3)9-5-10(15)6-9/h4,9-10,15H,5-6H2,1-3H3/t9-,10-
InChIKeySEZOHQAJJCEOMQ-MGCOHNPYSA-N
MW207.28 g/mol
LogP1.05
Rot. Bonds2

About 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclobutan-1-ol

3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclobutan-1-ol (PubChem CID 75506056) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclobutan-1-ol
PubChem CID75506056
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclobutan-1-ol
SMILESCc1cc(N(C)[C@H]2C[C@H](O)C2)nc(C)n1
InChIInChI=1S/C11H17N3O/c1-7-4-11(13-8(2)12-7)14(3)9-5-10(15)6-9/h4,9-10,15H,5-6H2,1-3H3/t9-,10-
InChIKeySEZOHQAJJCEOMQ-MGCOHNPYSA-N
XLogP1.05
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclobutan-1-ol?
The IUPAC name of 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclobutan-1-ol (CID 75506056) is 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclobutan-1-ol?
The canonical SMILES for 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclobutan-1-ol is Cc1cc(N(C)[C@H]2C[C@H](O)C2)nc(C)n1.
What is the InChIKey of 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclobutan-1-ol?
The InChIKey is SEZOHQAJJCEOMQ-MGCOHNPYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-4-11(13-8(2)12-7)14(3)9-5-10(15)6-9/h4,9-10,15H,5-6H2,1-3H3/t9-,10-.
What are the key properties of 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclobutan-1-ol?
3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclobutan-1-ol has a molecular weight of 207.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylpyrimidin-4-yl)-methylamino]cyclobutan-1-ol is sourced from PubChem (CID 75506056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).