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

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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).