2-[(5-chloro-6-methylpyrimidin-4-yl)amino]propan-1-ol

C8H12ClN3O — CID 86171805

IUPAC2-[(5-chloro-6-methylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1ncnc(NC(C)CO)c1Cl
InChIInChI=1S/C8H12ClN3O/c1-5(3-13)12-8-7(9)6(2)10-4-11-8/h4-5,13H,3H2,1-2H3,(H,10,11,12)
InChIKeyATYQHWQYAAVQTK-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.23
Rot. Bonds3

About 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]propan-1-ol

2-[(5-chloro-6-methylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 86171805) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[(5-chloro-6-methylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID86171805
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name2-[(5-chloro-6-methylpyrimidin-4-yl)amino]propan-1-ol
SMILESCc1ncnc(NC(C)CO)c1Cl
InChIInChI=1S/C8H12ClN3O/c1-5(3-13)12-8-7(9)6(2)10-4-11-8/h4-5,13H,3H2,1-2H3,(H,10,11,12)
InChIKeyATYQHWQYAAVQTK-UHFFFAOYSA-N
XLogP1.23
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]propan-1-ol (CID 86171805) is 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]propan-1-ol is Cc1ncnc(NC(C)CO)c1Cl.
What is the InChIKey of 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is ATYQHWQYAAVQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-5(3-13)12-8-7(9)6(2)10-4-11-8/h4-5,13H,3H2,1-2H3,(H,10,11,12).
What are the key properties of 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]propan-1-ol?
2-[(5-chloro-6-methylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 201.66 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-methylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 86171805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).