3-[2-amino-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol

C13H17N5OS — CID 91787095

IUPAC3-[2-amino-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(Cc1nccs1)c1cc(C2CC(O)C2)nc(N)n1
InChIInChI=1S/C13H17N5OS/c1-18(7-12-15-2-3-20-12)11-6-10(16-13(14)17-11)8-4-9(19)5-8/h2-3,6,8-9,19H,4-5,7H2,1H3,(H2,14,16,17)
InChIKeyMLGAYFPYEDLFFW-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.39
Rot. Bonds4

About 3-[2-amino-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91787095) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-[2-amino-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91787095
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name3-[2-amino-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN(Cc1nccs1)c1cc(C2CC(O)C2)nc(N)n1
InChIInChI=1S/C13H17N5OS/c1-18(7-12-15-2-3-20-12)11-6-10(16-13(14)17-11)8-4-9(19)5-8/h2-3,6,8-9,19H,4-5,7H2,1H3,(H2,14,16,17)
InChIKeyMLGAYFPYEDLFFW-UHFFFAOYSA-N
XLogP1.39
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91787095) is 3-[2-amino-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol is CN(Cc1nccs1)c1cc(C2CC(O)C2)nc(N)n1.
What is the InChIKey of 3-[2-amino-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is MLGAYFPYEDLFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-18(7-12-15-2-3-20-12)11-6-10(16-13(14)17-11)8-4-9(19)5-8/h2-3,6,8-9,19H,4-5,7H2,1H3,(H2,14,16,17).
What are the key properties of 3-[2-amino-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 291.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[methyl(1,3-thiazol-2-ylmethyl)amino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91787095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).