1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol

C13H24N4O — CID 114169936

IUPAC1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1ncnc(NC)c1CC
InChIInChI=1S/C13H24N4O/c1-5-7-13(3,18)8-15-12-10(6-2)11(14-4)16-9-17-12/h9,18H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyHFQHMZYDGISVDO-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.04
Rot. Bonds7

About 1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol

1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol (PubChem CID 114169936) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
PubChem CID114169936
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1ncnc(NC)c1CC
InChIInChI=1S/C13H24N4O/c1-5-7-13(3,18)8-15-12-10(6-2)11(14-4)16-9-17-12/h9,18H,5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyHFQHMZYDGISVDO-UHFFFAOYSA-N
XLogP2.04
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine
CID 104767180
2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol
CID 113234742
1-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169732
1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293481
4-N-(2,2-dimethylpropyl)-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80797563
1-[[6-(ethylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 114169926
3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]-2-methylpropane-1,2-diol
CID 80851169
5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106900980
5-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
CID 106149949
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
4-N-[2-(diethylamino)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80770786

Frequently Asked Questions

What is the IUPAC name of 1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol (CID 114169936) is 1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1ncnc(NC)c1CC.
What is the InChIKey of 1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
The InChIKey is HFQHMZYDGISVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-7-13(3,18)8-15-12-10(6-2)11(14-4)16-9-17-12/h9,18H,5-8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol?
1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol is sourced from PubChem (CID 114169936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).