3-[6-[3-(2-amino-1,3-thiazol-4-yl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol

C15H21N5OS — CID 91794841

IUPAC3-[6-[3-(2-amino-1,3-thiazol-4-yl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(NCCCc2csc(N)n2)cc(C2CC(O)C2)n1
InChIInChI=1S/C15H21N5OS/c1-9-18-13(10-5-12(21)6-10)7-14(19-9)17-4-2-3-11-8-22-15(16)20-11/h7-8,10,12,21H,2-6H2,1H3,(H2,16,20)(H,17,18,19)
InChIKeyILJFGLDBSXCMDG-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.11
Rot. Bonds6

About 3-[6-[3-(2-amino-1,3-thiazol-4-yl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol

3-[6-[3-(2-amino-1,3-thiazol-4-yl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91794841) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-[6-[3-(2-amino-1,3-thiazol-4-yl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[3-(2-amino-1,3-thiazol-4-yl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91794841
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name3-[6-[3-(2-amino-1,3-thiazol-4-yl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(NCCCc2csc(N)n2)cc(C2CC(O)C2)n1
InChIInChI=1S/C15H21N5OS/c1-9-18-13(10-5-12(21)6-10)7-14(19-9)17-4-2-3-11-8-22-15(16)20-11/h7-8,10,12,21H,2-6H2,1H3,(H2,16,20)(H,17,18,19)
InChIKeyILJFGLDBSXCMDG-UHFFFAOYSA-N
XLogP2.11
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[6-[3-(2-amino-1,3-thiazol-4-yl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-(2-amino-1,3-thiazol-4-yl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[3-(2-amino-1,3-thiazol-4-yl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol (CID 91794841) is 3-[6-[3-(2-amino-1,3-thiazol-4-yl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[3-(2-amino-1,3-thiazol-4-yl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[3-(2-amino-1,3-thiazol-4-yl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(NCCCc2csc(N)n2)cc(C2CC(O)C2)n1.
What is the InChIKey of 3-[6-[3-(2-amino-1,3-thiazol-4-yl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is ILJFGLDBSXCMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-9-18-13(10-5-12(21)6-10)7-14(19-9)17-4-2-3-11-8-22-15(16)20-11/h7-8,10,12,21H,2-6H2,1H3,(H2,16,20)(H,17,18,19).
What are the key properties of 3-[6-[3-(2-amino-1,3-thiazol-4-yl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[3-(2-amino-1,3-thiazol-4-yl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 319.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-(2-amino-1,3-thiazol-4-yl)propylamino]-2-methylpyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91794841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).