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

C10H18N4O — CID 83179964

IUPAC3-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCNc1ncnc(NC(C)CCO)c1C
InChIInChI=1S/C10H18N4O/c1-7(4-5-15)14-10-8(2)9(11-3)12-6-13-10/h6-7,15H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyJDYQFEZXXBQYRC-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.01
Rot. Bonds5

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

3-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 83179964) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
PubChem CID83179964
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
SMILESCNc1ncnc(NC(C)CCO)c1C
InChIInChI=1S/C10H18N4O/c1-7(4-5-15)14-10-8(2)9(11-3)12-6-13-10/h6-7,15H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyJDYQFEZXXBQYRC-UHFFFAOYSA-N
XLogP1.01
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 3-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol (CID 83179964) is 3-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 3-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 3-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol is CNc1ncnc(NC(C)CCO)c1C.
What is the InChIKey of 3-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is JDYQFEZXXBQYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(4-5-15)14-10-8(2)9(11-3)12-6-13-10/h6-7,15H,4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 3-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol?
3-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 83179964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).