1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol

C11H21N5O — CID 80850995

IUPAC1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNc1cc(N)nc(N)n1
InChIInChI=1S/C11H21N5O/c1-7(2)5-11(3,17)6-14-9-4-8(12)15-10(13)16-9/h4,7,17H,5-6H2,1-3H3,(H5,12,13,14,15,16)
InChIKeyOLSIAAWCTVTPLP-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.85
Rot. Bonds5

About 1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol

1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol (PubChem CID 80850995) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
PubChem CID80850995
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNc1cc(N)nc(N)n1
InChIInChI=1S/C11H21N5O/c1-7(2)5-11(3,17)6-14-9-4-8(12)15-10(13)16-9/h4,7,17H,5-6H2,1-3H3,(H5,12,13,14,15,16)
InChIKeyOLSIAAWCTVTPLP-UHFFFAOYSA-N
XLogP0.85
TPSA110.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol with MolForge

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Related Compounds

1-[(2-aminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80851643
4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80770441
1-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80969009
1-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
CID 80851642
1-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2,4-dimethylpentan-2-ol
CID 80960165
1-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 80547202
2-chloro-6-[(2-hydroxy-2,4-dimethylpentyl)amino]pyridine-4-carbonitrile
CID 83076843
4-N-(2-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 80768145
1-[(5-aminopyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 66180510
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80850772
2,4-dimethyl-1-(pyridin-2-ylamino)pentan-2-ol
CID 66179990
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169930

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol (CID 80850995) is 1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNc1cc(N)nc(N)n1.
What is the InChIKey of 1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
The InChIKey is OLSIAAWCTVTPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-7(2)5-11(3,17)6-14-9-4-8(12)15-10(13)16-9/h4,7,17H,5-6H2,1-3H3,(H5,12,13,14,15,16).
What are the key properties of 1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol?
1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol has a molecular weight of 239.32 g/mol, XLogP of 0.85, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-diaminopyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 80850995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).