3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol

C9H14ClN3O — CID 83187973

IUPAC3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
SMILESCc1c(Cl)ncnc1NC(C)CCO
InChIInChI=1S/C9H14ClN3O/c1-6(3-4-14)13-9-7(2)8(10)11-5-12-9/h5-6,14H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyFVMTUIXZZBMMHH-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.62
Rot. Bonds4

About 3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol

3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol (PubChem CID 83187973) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
PubChem CID83187973
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol
SMILESCc1c(Cl)ncnc1NC(C)CCO
InChIInChI=1S/C9H14ClN3O/c1-6(3-4-14)13-9-7(2)8(10)11-5-12-9/h5-6,14H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyFVMTUIXZZBMMHH-UHFFFAOYSA-N
XLogP1.62
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol?
The IUPAC name of 3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol (CID 83187973) is 3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol?
The canonical SMILES for 3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol is Cc1c(Cl)ncnc1NC(C)CCO.
What is the InChIKey of 3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol?
The InChIKey is FVMTUIXZZBMMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-6(3-4-14)13-9-7(2)8(10)11-5-12-9/h5-6,14H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol?
3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol has a molecular weight of 215.68 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-5-methylpyrimidin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 83187973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).