3-[2-amino-6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

C15H21N5OS — CID 91796271

IUPAC3-[2-amino-6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(CCNc2cc(C3CC(O)C3)nc(N)n2)sc1C
InChIInChI=1S/C15H21N5OS/c1-8-9(2)22-14(18-8)3-4-17-13-7-12(19-15(16)20-13)10-5-11(21)6-10/h7,10-11,21H,3-6H2,1-2H3,(H3,16,17,19,20)
InChIKeyJOLAPNZFDFNPIU-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.03
Rot. Bonds5

About 3-[2-amino-6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91796271) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-[2-amino-6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91796271
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name3-[2-amino-6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCc1nc(CCNc2cc(C3CC(O)C3)nc(N)n2)sc1C
InChIInChI=1S/C15H21N5OS/c1-8-9(2)22-14(18-8)3-4-17-13-7-12(19-15(16)20-13)10-5-11(21)6-10/h7,10-11,21H,3-6H2,1-2H3,(H3,16,17,19,20)
InChIKeyJOLAPNZFDFNPIU-UHFFFAOYSA-N
XLogP2.03
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[2-amino-6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-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-[2-amino-6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91796271) is 3-[2-amino-6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is Cc1nc(CCNc2cc(C3CC(O)C3)nc(N)n2)sc1C.
What is the InChIKey of 3-[2-amino-6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is JOLAPNZFDFNPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-8-9(2)22-14(18-8)3-4-17-13-7-12(19-15(16)20-13)10-5-11(21)6-10/h7,10-11,21H,3-6H2,1-2H3,(H3,16,17,19,20).
What are the key properties of 3-[2-amino-6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 319.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91796271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).