4-(2-amino-4-chloro-6-methylpyrimidin-5-yl)-2-methylbut-3-yn-2-ol

C10H12ClN3O — CID 11528694

IUPAC4-(2-amino-4-chloro-6-methylpyrimidin-5-yl)-2-methylbut-3-yn-2-ol
SMILESCc1nc(N)nc(Cl)c1C#CC(C)(C)O
InChIInChI=1S/C10H12ClN3O/c1-6-7(4-5-10(2,3)15)8(11)14-9(12)13-6/h15H,1-3H3,(H2,12,13,14)
InChIKeyKOSFTGBYKNFFEX-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.14
Rot. Bonds

About 4-(2-amino-4-chloro-6-methylpyrimidin-5-yl)-2-methylbut-3-yn-2-ol

4-(2-amino-4-chloro-6-methylpyrimidin-5-yl)-2-methylbut-3-yn-2-ol (PubChem CID 11528694) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 4-(2-amino-4-chloro-6-methylpyrimidin-5-yl)-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-(2-amino-4-chloro-6-methylpyrimidin-5-yl)-2-methylbut-3-yn-2-ol
PubChem CID11528694
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name4-(2-amino-4-chloro-6-methylpyrimidin-5-yl)-2-methylbut-3-yn-2-ol
SMILESCc1nc(N)nc(Cl)c1C#CC(C)(C)O
InChIInChI=1S/C10H12ClN3O/c1-6-7(4-5-10(2,3)15)8(11)14-9(12)13-6/h15H,1-3H3,(H2,12,13,14)
InChIKeyKOSFTGBYKNFFEX-UHFFFAOYSA-N
XLogP1.14
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-chloro-6-methylpyrimidin-5-yl)-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-(2-amino-4-chloro-6-methylpyrimidin-5-yl)-2-methylbut-3-yn-2-ol (CID 11528694) is 4-(2-amino-4-chloro-6-methylpyrimidin-5-yl)-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-(2-amino-4-chloro-6-methylpyrimidin-5-yl)-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-(2-amino-4-chloro-6-methylpyrimidin-5-yl)-2-methylbut-3-yn-2-ol is Cc1nc(N)nc(Cl)c1C#CC(C)(C)O.
What is the InChIKey of 4-(2-amino-4-chloro-6-methylpyrimidin-5-yl)-2-methylbut-3-yn-2-ol?
The InChIKey is KOSFTGBYKNFFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-6-7(4-5-10(2,3)15)8(11)14-9(12)13-6/h15H,1-3H3,(H2,12,13,14).
What are the key properties of 4-(2-amino-4-chloro-6-methylpyrimidin-5-yl)-2-methylbut-3-yn-2-ol?
4-(2-amino-4-chloro-6-methylpyrimidin-5-yl)-2-methylbut-3-yn-2-ol has a molecular weight of 225.68 g/mol, XLogP of 1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-chloro-6-methylpyrimidin-5-yl)-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 11528694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).