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

C10H16ClN3O — CID 64910682

IUPAC4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol
SMILESCc1nc(Cl)c(C)c(NCCC(C)O)n1
InChIInChI=1S/C10H16ClN3O/c1-6(15)4-5-12-10-7(2)9(11)13-8(3)14-10/h6,15H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyXMURFAZEFKWKBI-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.93
Rot. Bonds4

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

4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol (PubChem CID 64910682) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol
PubChem CID64910682
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol
SMILESCc1nc(Cl)c(C)c(NCCC(C)O)n1
InChIInChI=1S/C10H16ClN3O/c1-6(15)4-5-12-10-7(2)9(11)13-8(3)14-10/h6,15H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyXMURFAZEFKWKBI-UHFFFAOYSA-N
XLogP1.93
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol?
The IUPAC name of 4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol (CID 64910682) is 4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol is Cc1nc(Cl)c(C)c(NCCC(C)O)n1.
What is the InChIKey of 4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol?
The InChIKey is XMURFAZEFKWKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-6(15)4-5-12-10-7(2)9(11)13-8(3)14-10/h6,15H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol?
4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol has a molecular weight of 229.71 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 64910682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).