1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol

C11H18ClN3O2 — CID 63729834

IUPAC1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1nc(C)nc(Cl)c1C
InChIInChI=1S/C11H18ClN3O2/c1-7-10(12)13-8(2)14-11(7)15(3)5-9(16)6-17-4/h9,16H,5-6H2,1-4H3
InChIKeyXTKKSHNWNVFXGY-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.19
Rot. Bonds5

About 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol

1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol (PubChem CID 63729834) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
PubChem CID63729834
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CN(C)c1nc(C)nc(Cl)c1C
InChIInChI=1S/C11H18ClN3O2/c1-7-10(12)13-8(2)14-11(7)15(3)5-9(16)6-17-4/h9,16H,5-6H2,1-4H3
InChIKeyXTKKSHNWNVFXGY-UHFFFAOYSA-N
XLogP1.19
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol (CID 63729834) is 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol is COCC(O)CN(C)c1nc(C)nc(Cl)c1C.
What is the InChIKey of 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
The InChIKey is XTKKSHNWNVFXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-7-10(12)13-8(2)14-11(7)15(3)5-9(16)6-17-4/h9,16H,5-6H2,1-4H3.
What are the key properties of 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol?
1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol has a molecular weight of 259.74 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 63729834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).