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

C13H24N4O2 — CID 106198550

IUPAC3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
SMILESCCNc1ncnc(NC(C)(C)C(C)(C)O)c1OC
InChIInChI=1S/C13H24N4O2/c1-7-14-10-9(19-6)11(16-8-15-10)17-12(2,3)13(4,5)18/h8,18H,7H2,1-6H3,(H2,14,15,16,17)
InChIKeyGQXNOFVFVCQJAD-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.88
Rot. Bonds6

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

3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol (PubChem CID 106198550) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
PubChem CID106198550
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
SMILESCCNc1ncnc(NC(C)(C)C(C)(C)O)c1OC
InChIInChI=1S/C13H24N4O2/c1-7-14-10-9(19-6)11(16-8-15-10)17-12(2,3)13(4,5)18/h8,18H,7H2,1-6H3,(H2,14,15,16,17)
InChIKeyGQXNOFVFVCQJAD-UHFFFAOYSA-N
XLogP1.88
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol (CID 106198550) is 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol is CCNc1ncnc(NC(C)(C)C(C)(C)O)c1OC.
What is the InChIKey of 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
The InChIKey is GQXNOFVFVCQJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-7-14-10-9(19-6)11(16-8-15-10)17-12(2,3)13(4,5)18/h8,18H,7H2,1-6H3,(H2,14,15,16,17).
What are the key properties of 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol has a molecular weight of 268.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106198550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).