6-(3-aminocyclobutyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrimidin-4-amine

C15H18N6S — CID 91766576

IUPAC6-(3-aminocyclobutyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrimidin-4-amine
SMILESNC1CC(c2cc(NCCc3cn4ccsc4n3)ncn2)C1
InChIInChI=1S/C15H18N6S/c16-11-5-10(6-11)13-7-14(19-9-18-13)17-2-1-12-8-21-3-4-22-15(21)20-12/h3-4,7-11H,1-2,5-6,16H2,(H,17,18,19)
InChIKeyHMEARUDINFIIJZ-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.05
Rot. Bonds5

About 6-(3-aminocyclobutyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrimidin-4-amine

6-(3-aminocyclobutyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrimidin-4-amine (PubChem CID 91766576) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrimidin-4-amine
PubChem CID91766576
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name6-(3-aminocyclobutyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrimidin-4-amine
SMILESNC1CC(c2cc(NCCc3cn4ccsc4n3)ncn2)C1
InChIInChI=1S/C15H18N6S/c16-11-5-10(6-11)13-7-14(19-9-18-13)17-2-1-12-8-21-3-4-22-15(21)20-12/h3-4,7-11H,1-2,5-6,16H2,(H,17,18,19)
InChIKeyHMEARUDINFIIJZ-UHFFFAOYSA-N
XLogP2.05
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-(3-aminocyclobutyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrimidin-4-amine (CID 91766576) is 6-(3-aminocyclobutyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrimidin-4-amine is NC1CC(c2cc(NCCc3cn4ccsc4n3)ncn2)C1.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrimidin-4-amine?
The InChIKey is HMEARUDINFIIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c16-11-5-10(6-11)13-7-14(19-9-18-13)17-2-1-12-8-21-3-4-22-15(21)20-12/h3-4,7-11H,1-2,5-6,16H2,(H,17,18,19).
What are the key properties of 6-(3-aminocyclobutyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrimidin-4-amine?
6-(3-aminocyclobutyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrimidin-4-amine has a molecular weight of 314.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 91766576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).