3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol

C12H22N4O — CID 106198513

IUPAC3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCCc1c(N)ncnc1NC(C)(C)C(C)(C)O
InChIInChI=1S/C12H22N4O/c1-6-8-9(13)14-7-15-10(8)16-11(2,3)12(4,5)17/h7,17H,6H2,1-5H3,(H3,13,14,15,16)
InChIKeyJXZTYOISNOAQDM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.58
Rot. Bonds4

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

3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol (PubChem CID 106198513) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
PubChem CID106198513
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
SMILESCCc1c(N)ncnc1NC(C)(C)C(C)(C)O
InChIInChI=1S/C12H22N4O/c1-6-8-9(13)14-7-15-10(8)16-11(2,3)12(4,5)17/h7,17H,6H2,1-5H3,(H3,13,14,15,16)
InChIKeyJXZTYOISNOAQDM-UHFFFAOYSA-N
XLogP1.58
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(6-amino-5-ethylpyrimidin-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-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol (CID 106198513) is 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol is CCc1c(N)ncnc1NC(C)(C)C(C)(C)O.
What is the InChIKey of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
The InChIKey is JXZTYOISNOAQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-6-8-9(13)14-7-15-10(8)16-11(2,3)12(4,5)17/h7,17H,6H2,1-5H3,(H3,13,14,15,16).
What are the key properties of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol?
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106198513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).