3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-dimethylcyclobutan-1-ol

C13H21N3O3 — CID 114628955

IUPAC3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCOc1ncnc(OC)c1CNC1CC(O)C1(C)C
InChIInChI=1S/C13H21N3O3/c1-13(2)9(5-10(13)17)14-6-8-11(18-3)15-7-16-12(8)19-4/h7,9-10,14,17H,5-6H2,1-4H3
InChIKeySIWUVWIRMGGDMQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.74
Rot. Bonds5

About 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-dimethylcyclobutan-1-ol

3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-dimethylcyclobutan-1-ol (PubChem CID 114628955) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
PubChem CID114628955
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-dimethylcyclobutan-1-ol
SMILESCOc1ncnc(OC)c1CNC1CC(O)C1(C)C
InChIInChI=1S/C13H21N3O3/c1-13(2)9(5-10(13)17)14-6-8-11(18-3)15-7-16-12(8)19-4/h7,9-10,14,17H,5-6H2,1-4H3
InChIKeySIWUVWIRMGGDMQ-UHFFFAOYSA-N
XLogP0.74
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-dimethylcyclobutan-1-ol (CID 114628955) is 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-dimethylcyclobutan-1-ol is COc1ncnc(OC)c1CNC1CC(O)C1(C)C.
What is the InChIKey of 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is SIWUVWIRMGGDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(2)9(5-10(13)17)14-6-8-11(18-3)15-7-16-12(8)19-4/h7,9-10,14,17H,5-6H2,1-4H3.
What are the key properties of 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-dimethylcyclobutan-1-ol?
3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 114628955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).