3-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]-2,2-dimethylpropan-1-ol

C11H20N4O — CID 122516796

IUPAC3-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]-2,2-dimethylpropan-1-ol
SMILESCc1cnc(N)nc1N(C)CC(C)(C)CO
InChIInChI=1S/C11H20N4O/c1-8-5-13-10(12)14-9(8)15(4)6-11(2,3)7-16/h5,16H,6-7H2,1-4H3,(H2,12,13,14)
InChIKeyICVSZEUGGJAUNU-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.82
Rot. Bonds4

About 3-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]-2,2-dimethylpropan-1-ol

3-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]-2,2-dimethylpropan-1-ol (PubChem CID 122516796) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]-2,2-dimethylpropan-1-ol
PubChem CID122516796
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]-2,2-dimethylpropan-1-ol
SMILESCc1cnc(N)nc1N(C)CC(C)(C)CO
InChIInChI=1S/C11H20N4O/c1-8-5-13-10(12)14-9(8)15(4)6-11(2,3)7-16/h5,16H,6-7H2,1-4H3,(H2,12,13,14)
InChIKeyICVSZEUGGJAUNU-UHFFFAOYSA-N
XLogP0.82
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]-2,2-dimethylpropan-1-ol (CID 122516796) is 3-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]-2,2-dimethylpropan-1-ol is Cc1cnc(N)nc1N(C)CC(C)(C)CO.
What is the InChIKey of 3-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is ICVSZEUGGJAUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-5-13-10(12)14-9(8)15(4)6-11(2,3)7-16/h5,16H,6-7H2,1-4H3,(H2,12,13,14).
What are the key properties of 3-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]-2,2-dimethylpropan-1-ol?
3-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 224.31 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-5-methylpyrimidin-4-yl)-methylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 122516796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).