1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylbutan-2-ol

C11H18ClN3O — CID 65108863

IUPAC1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1nc(C)nc(Cl)c1C
InChIInChI=1S/C11H18ClN3O/c1-5-11(4,16)6-13-10-7(2)9(12)14-8(3)15-10/h16H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyVTBMGVLHVJQAFG-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.32
Rot. Bonds4

About 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylbutan-2-ol

1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylbutan-2-ol (PubChem CID 65108863) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylbutan-2-ol
PubChem CID65108863
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1nc(C)nc(Cl)c1C
InChIInChI=1S/C11H18ClN3O/c1-5-11(4,16)6-13-10-7(2)9(12)14-8(3)15-10/h16H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyVTBMGVLHVJQAFG-UHFFFAOYSA-N
XLogP2.32
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylbutan-2-ol (CID 65108863) is 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylbutan-2-ol is CCC(C)(O)CNc1nc(C)nc(Cl)c1C.
What is the InChIKey of 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylbutan-2-ol?
The InChIKey is VTBMGVLHVJQAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-5-11(4,16)6-13-10-7(2)9(12)14-8(3)15-10/h16H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylbutan-2-ol?
1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylbutan-2-ol has a molecular weight of 243.74 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 65108863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).