3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol

C12H22N4O2 — CID 106198571

IUPAC3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
SMILESCNc1ncnc(NC(C)(C)C(C)(C)O)c1OC
InChIInChI=1S/C12H22N4O2/c1-11(2,12(3,4)17)16-10-8(18-6)9(13-5)14-7-15-10/h7,17H,1-6H3,(H2,13,14,15,16)
InChIKeyJMVJBFVVKOIOKV-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.49
Rot. Bonds5

About 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol

3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol (PubChem CID 106198571) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
PubChem CID106198571
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
SMILESCNc1ncnc(NC(C)(C)C(C)(C)O)c1OC
InChIInChI=1S/C12H22N4O2/c1-11(2,12(3,4)17)16-10-8(18-6)9(13-5)14-7-15-10/h7,17H,1-6H3,(H2,13,14,15,16)
InChIKeyJMVJBFVVKOIOKV-UHFFFAOYSA-N
XLogP1.49
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol with MolForge

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Related Compounds

3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198550
3-[(6-methoxy-5-nitropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106185337
3-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2,3-dimethylbutan-2-ol
CID 106185428
2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855567
3-[(6-amino-5-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198207
methyl 4-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyrimidine-5-carboxylate
CID 114214892
2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 114157091
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,3-dimethylbutan-2-ol
CID 106198513
4-N-(2,6-difluoro-3-methylphenyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 82822681
4-N-(3-ethylsulfanylpropyl)-5-methoxy-6-N-methylpyrimidine-4,6-diamine
CID 114248141
3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,2-dimethylcyclobutan-1-ol
CID 114632957
6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine
CID 106330892

Frequently Asked Questions

What is the IUPAC name of 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol (CID 106198571) is 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol is CNc1ncnc(NC(C)(C)C(C)(C)O)c1OC.
What is the InChIKey of 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
The InChIKey is JMVJBFVVKOIOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-11(2,12(3,4)17)16-10-8(18-6)9(13-5)14-7-15-10/h7,17H,1-6H3,(H2,13,14,15,16).
What are the key properties of 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol?
3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol has a molecular weight of 254.33 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-methoxy-6-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106198571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).