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

C13H17N5OS — CID 91771157

IUPAC3-[6-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(CCNc2cc(C3CC(O)C3)ncn2)cs1
InChIInChI=1S/C13H17N5OS/c14-13-18-9(6-20-13)1-2-15-12-5-11(16-7-17-12)8-3-10(19)4-8/h5-8,10,19H,1-4H2,(H2,14,18)(H,15,16,17)
InChIKeyAJDMCTVAIHKRKW-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.41
Rot. Bonds5

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

3-[6-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91771157) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-[6-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91771157
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name3-[6-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(CCNc2cc(C3CC(O)C3)ncn2)cs1
InChIInChI=1S/C13H17N5OS/c14-13-18-9(6-20-13)1-2-15-12-5-11(16-7-17-12)8-3-10(19)4-8/h5-8,10,19H,1-4H2,(H2,14,18)(H,15,16,17)
InChIKeyAJDMCTVAIHKRKW-UHFFFAOYSA-N
XLogP1.41
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91771157) is 3-[6-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is Nc1nc(CCNc2cc(C3CC(O)C3)ncn2)cs1.
What is the InChIKey of 3-[6-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is AJDMCTVAIHKRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c14-13-18-9(6-20-13)1-2-15-12-5-11(16-7-17-12)8-3-10(19)4-8/h5-8,10,19H,1-4H2,(H2,14,18)(H,15,16,17).
What are the key properties of 3-[6-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 291.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(2-amino-1,3-thiazol-4-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91771157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).