2-(3-butyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C18H18N6S — CID 10405619

IUPAC2-(3-butyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCCCCn1cnc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1
InChIInChI=1S/C18H18N6S/c1-2-3-9-24-11-22-13(12-7-5-4-6-8-12)15(24)18-23-14-16(19)20-10-21-17(14)25-18/h4-8,10-11H,2-3,9H2,1H3,(H2,19,20,21)
InChIKeyZHXXLUYCGOMVAK-UHFFFAOYSA-N
MW350.45 g/mol
LogP4.00
Rot. Bonds5

About 2-(3-butyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

2-(3-butyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 10405619) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-(3-butyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(3-butyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID10405619
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC Name2-(3-butyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCCCCn1cnc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1
InChIInChI=1S/C18H18N6S/c1-2-3-9-24-11-22-13(12-7-5-4-6-8-12)15(24)18-23-14-16(19)20-10-21-17(14)25-18/h4-8,10-11H,2-3,9H2,1H3,(H2,19,20,21)
InChIKeyZHXXLUYCGOMVAK-UHFFFAOYSA-N
XLogP4.00
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-(3-butyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 10405619) is 2-(3-butyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-(3-butyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-(3-butyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is CCCCn1cnc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1.
What is the InChIKey of 2-(3-butyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is ZHXXLUYCGOMVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S/c1-2-3-9-24-11-22-13(12-7-5-4-6-8-12)15(24)18-23-14-16(19)20-10-21-17(14)25-18/h4-8,10-11H,2-3,9H2,1H3,(H2,19,20,21).
What are the key properties of 2-(3-butyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-(3-butyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 350.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-5-phenylimidazol-4-yl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 10405619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).