2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol

C12H22N4O — CID 114157091

IUPAC2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol
SMILESCNc1ncc(C)c(NC(C)(C)C(C)(C)O)n1
InChIInChI=1S/C12H22N4O/c1-8-7-14-10(13-6)15-9(8)16-11(2,3)12(4,5)17/h7,17H,1-6H3,(H2,13,14,15,16)
InChIKeyGJXYLCMZJCDGKG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.79
Rot. Bonds4

About 2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol

2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol (PubChem CID 114157091) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol
PubChem CID114157091
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol
SMILESCNc1ncc(C)c(NC(C)(C)C(C)(C)O)n1
InChIInChI=1S/C12H22N4O/c1-8-7-14-10(13-6)15-9(8)16-11(2,3)12(4,5)17/h7,17H,1-6H3,(H2,13,14,15,16)
InChIKeyGJXYLCMZJCDGKG-UHFFFAOYSA-N
XLogP1.79
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol with MolForge

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Related Compounds

3-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198584
2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 115366501
2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 80851320
1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80780223
2,3-dimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-2-ol
CID 106198492
4-N-(4-bromo-2,6-difluorophenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80846756
2-N,5-dimethyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
CID 106296095
2-N,5-dimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80753695
4-N-tert-butyl-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80769091
4-methyl-1-[[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842820
ethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate
CID 80789523
4-N-decyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80854389

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol (CID 114157091) is 2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol is CNc1ncc(C)c(NC(C)(C)C(C)(C)O)n1.
What is the InChIKey of 2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol?
The InChIKey is GJXYLCMZJCDGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8-7-14-10(13-6)15-9(8)16-11(2,3)12(4,5)17/h7,17H,1-6H3,(H2,13,14,15,16).
What are the key properties of 2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol?
2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]butan-2-ol is sourced from PubChem (CID 114157091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).