3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol

C12H22N4O — CID 83179481

IUPAC3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCc1nc(NC)c(C)c(NC(C)CCO)n1
InChIInChI=1S/C12H22N4O/c1-5-10-15-11(13-4)9(3)12(16-10)14-8(2)6-7-17/h8,17H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyMUBOCGYOEICWPO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.57
Rot. Bonds6

About 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol

3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 83179481) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
PubChem CID83179481
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCCc1nc(NC)c(C)c(NC(C)CCO)n1
InChIInChI=1S/C12H22N4O/c1-5-10-15-11(13-4)9(3)12(16-10)14-8(2)6-7-17/h8,17H,5-7H2,1-4H3,(H2,13,14,15,16)
InChIKeyMUBOCGYOEICWPO-UHFFFAOYSA-N
XLogP1.57
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol (CID 83179481) is 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol is CCc1nc(NC)c(C)c(NC(C)CCO)n1.
What is the InChIKey of 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is MUBOCGYOEICWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-10-15-11(13-4)9(3)12(16-10)14-8(2)6-7-17/h8,17H,5-7H2,1-4H3,(H2,13,14,15,16).
What are the key properties of 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol?
3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 83179481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).