3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol

C12H22N4O2 — CID 106198571

IUPAC3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
SMILESCNc1ncnc(NC(C)(C)C(C)(C)O)c1OC
InChIInChI=1S/C12H22N4O2/c1-11(2,12(3,4)17)16-10-8(18-6)9(13-5)14-7-15-10/h7,17H,1-6H3,(H2,13,14,15,16)
InChIKeyJMVJBFVVKOIOKV-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.49
Rot. Bonds5

About 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol

3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol (PubChem CID 106198571) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
PubChem CID106198571
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
SMILESCNc1ncnc(NC(C)(C)C(C)(C)O)c1OC
InChIInChI=1S/C12H22N4O2/c1-11(2,12(3,4)17)16-10-8(18-6)9(13-5)14-7-15-10/h7,17H,1-6H3,(H2,13,14,15,16)
InChIKeyJMVJBFVVKOIOKV-UHFFFAOYSA-N
XLogP1.49
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol (CID 106198571) is 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol is CNc1ncnc(NC(C)(C)C(C)(C)O)c1OC.
What is the InChIKey of 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
The InChIKey is JMVJBFVVKOIOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-11(2,12(3,4)17)16-10-8(18-6)9(13-5)14-7-15-10/h7,17H,1-6H3,(H2,13,14,15,16).
What are the key properties of 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol has a molecular weight of 254.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106198571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).