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

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

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Related Compounds

3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198571
2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855567
4-N-(2-ethoxy-2-methylpropyl)-6-N-ethyl-5-methoxypyrimidine-4,6-diamine
CID 114944716
6-N-ethyl-5-methoxy-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83147579
1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159733
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280657
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol
CID 114094101
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198513
N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-5-methoxypyrimidin-4-amine
CID 102723635
N-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide
CID 106343448
3-[(6-methoxy-5-nitropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106185337
6-N-ethyl-5-methoxy-4-N-(2-methylsulfanylphenyl)pyrimidine-4,6-diamine
CID 107647224

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).