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

C12H20ClN3O — CID 63728022

IUPAC2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1nc(C)nc(Cl)c1C
InChIInChI=1S/C12H20ClN3O/c1-5-12(6-2,7-17)16-11-8(3)10(13)14-9(4)15-11/h17H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyIHICBIJHGYHRNN-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.71
Rot. Bonds5

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

2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol (PubChem CID 63728022) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol
PubChem CID63728022
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)Nc1nc(C)nc(Cl)c1C
InChIInChI=1S/C12H20ClN3O/c1-5-12(6-2,7-17)16-11-8(3)10(13)14-9(4)15-11/h17H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyIHICBIJHGYHRNN-UHFFFAOYSA-N
XLogP2.71
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol (CID 63728022) is 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol is CCC(CC)(CO)Nc1nc(C)nc(Cl)c1C.
What is the InChIKey of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
The InChIKey is IHICBIJHGYHRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-5-12(6-2,7-17)16-11-8(3)10(13)14-9(4)15-11/h17H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol?
2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol has a molecular weight of 257.76 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]-2-ethylbutan-1-ol is sourced from PubChem (CID 63728022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).