(2R)-4-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol

C11H19N3O2 — CID 99855921

IUPAC(2R)-4-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol
SMILESCOc1nc(C)nc(NCC[C@@H](C)O)c1C
InChIInChI=1S/C11H19N3O2/c1-7(15)5-6-12-10-8(2)11(16-4)14-9(3)13-10/h7,15H,5-6H2,1-4H3,(H,12,13,14)/t7-/m1/s1
InChIKeyCESGZBXPUZCIBD-SSDOTTSWSA-N
MW225.29 g/mol
LogP1.28
Rot. Bonds5

About (2R)-4-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol

(2R)-4-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol (PubChem CID 99855921) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is (2R)-4-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol
PubChem CID99855921
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name(2R)-4-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol
SMILESCOc1nc(C)nc(NCC[C@@H](C)O)c1C
InChIInChI=1S/C11H19N3O2/c1-7(15)5-6-12-10-8(2)11(16-4)14-9(3)13-10/h7,15H,5-6H2,1-4H3,(H,12,13,14)/t7-/m1/s1
InChIKeyCESGZBXPUZCIBD-SSDOTTSWSA-N
XLogP1.28
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol?
The IUPAC name of (2R)-4-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol (CID 99855921) is (2R)-4-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for (2R)-4-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol?
The canonical SMILES for (2R)-4-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol is COc1nc(C)nc(NCC[C@@H](C)O)c1C.
What is the InChIKey of (2R)-4-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol?
The InChIKey is CESGZBXPUZCIBD-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(15)5-6-12-10-8(2)11(16-4)14-9(3)13-10/h7,15H,5-6H2,1-4H3,(H,12,13,14)/t7-/m1/s1.
What are the key properties of (2R)-4-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol?
(2R)-4-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(6-methoxy-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 99855921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).