4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol

C11H19BrN4O — CID 106149781

IUPAC4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
SMILESCNc1ncnc(NCC(C)(C)CCO)c1Br
InChIInChI=1S/C11H19BrN4O/c1-11(2,4-5-17)6-14-10-8(12)9(13-3)15-7-16-10/h7,17H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyZCVWASCZEIWZOY-UHFFFAOYSA-N
MW303.20 g/mol
LogP2.10
Rot. Bonds6

About 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol

4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol (PubChem CID 106149781) has the molecular formula C11H19BrN4O and a molecular weight of 303.20 g/mol. Its IUPAC name is 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
PubChem CID106149781
Molecular FormulaC11H19BrN4O
Molecular Weight303.20 g/mol
Exact Mass302.07
IUPAC Name4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
SMILESCNc1ncnc(NCC(C)(C)CCO)c1Br
InChIInChI=1S/C11H19BrN4O/c1-11(2,4-5-17)6-14-10-8(12)9(13-3)15-7-16-10/h7,17H,4-6H2,1-3H3,(H2,13,14,15,16)
InChIKeyZCVWASCZEIWZOY-UHFFFAOYSA-N
XLogP2.10
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-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 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol (CID 106149781) is 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol is CNc1ncnc(NCC(C)(C)CCO)c1Br.
What is the InChIKey of 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
The InChIKey is ZCVWASCZEIWZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O/c1-11(2,4-5-17)6-14-10-8(12)9(13-3)15-7-16-10/h7,17H,4-6H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol?
4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol has a molecular weight of 303.20 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-bromo-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106149781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).