3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol

C11H20N4O — CID 115366531

IUPAC3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCCc1c(N)ncnc1NCC(C)(C)CO
InChIInChI=1S/C11H20N4O/c1-4-8-9(12)14-7-15-10(8)13-5-11(2,3)6-16/h7,16H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyJQKOXISQCXMEEU-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.05
Rot. Bonds5

About 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol

3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 115366531) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID115366531
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCCc1c(N)ncnc1NCC(C)(C)CO
InChIInChI=1S/C11H20N4O/c1-4-8-9(12)14-7-15-10(8)13-5-11(2,3)6-16/h7,16H,4-6H2,1-3H3,(H3,12,13,14,15)
InChIKeyJQKOXISQCXMEEU-UHFFFAOYSA-N
XLogP1.05
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149754
4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine
CID 114944680
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propan-1-ol
CID 80770990
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198513
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]propane-1,2-diol
CID 80850758
6-[(6-amino-5-ethylpyrimidin-4-yl)amino]hexan-1-ol
CID 107855342
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366620
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 114178343
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-3-methylbutanamide
CID 106098686
4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80835155
N-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethyl]acetamide
CID 80788685

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol (CID 115366531) is 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol is CCc1c(N)ncnc1NCC(C)(C)CO.
What is the InChIKey of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is JQKOXISQCXMEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-8-9(12)14-7-15-10(8)13-5-11(2,3)6-16/h7,16H,4-6H2,1-3H3,(H3,12,13,14,15).
What are the key properties of 3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol?
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 1.05, 5 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]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115366531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).