3-[methyl-(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]propane-1,2-diol

C12H21N3O2 — CID 50981651

IUPAC3-[methyl-(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]propane-1,2-diol
SMILESCc1nc(C(C)C)cc(N(C)CC(O)CO)n1
InChIInChI=1S/C12H21N3O2/c1-8(2)11-5-12(14-9(3)13-11)15(4)6-10(17)7-16/h5,8,10,16-17H,6-7H2,1-4H3
InChIKeyCKSXQTGYIOROND-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.70
Rot. Bonds5

About 3-[methyl-(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]propane-1,2-diol

3-[methyl-(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]propane-1,2-diol (PubChem CID 50981651) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[methyl-(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]propane-1,2-diol.

Molecular Properties

Compound Name3-[methyl-(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]propane-1,2-diol
PubChem CID50981651
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-[methyl-(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]propane-1,2-diol
SMILESCc1nc(C(C)C)cc(N(C)CC(O)CO)n1
InChIInChI=1S/C12H21N3O2/c1-8(2)11-5-12(14-9(3)13-11)15(4)6-10(17)7-16/h5,8,10,16-17H,6-7H2,1-4H3
InChIKeyCKSXQTGYIOROND-UHFFFAOYSA-N
XLogP0.70
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]propane-1,2-diol?
The IUPAC name of 3-[methyl-(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]propane-1,2-diol (CID 50981651) is 3-[methyl-(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]propane-1,2-diol.
What is the SMILES notation for 3-[methyl-(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]propane-1,2-diol?
The canonical SMILES for 3-[methyl-(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]propane-1,2-diol is Cc1nc(C(C)C)cc(N(C)CC(O)CO)n1.
What is the InChIKey of 3-[methyl-(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]propane-1,2-diol?
The InChIKey is CKSXQTGYIOROND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)11-5-12(14-9(3)13-11)15(4)6-10(17)7-16/h5,8,10,16-17H,6-7H2,1-4H3.
What are the key properties of 3-[methyl-(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]propane-1,2-diol?
3-[methyl-(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]propane-1,2-diol has a molecular weight of 239.32 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-methyl-6-propan-2-ylpyrimidin-4-yl)amino]propane-1,2-diol is sourced from PubChem (CID 50981651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).