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

C18H18N6S — CID 46879872

IUPAC2-[3-(2-methylpropyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCC(C)Cn1cnc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1
InChIInChI=1S/C18H18N6S/c1-11(2)8-24-10-22-13(12-6-4-3-5-7-12)15(24)18-23-14-16(19)20-9-21-17(14)25-18/h3-7,9-11H,8H2,1-2H3,(H2,19,20,21)
InChIKeyYDDKBUNHUCXGEM-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.86
Rot. Bonds4

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

2-[3-(2-methylpropyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 46879872) has the molecular formula C18H18N6S and a molecular weight of 350.45 g/mol. Its IUPAC name is 2-[3-(2-methylpropyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[3-(2-methylpropyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
PubChem CID46879872
Molecular FormulaC18H18N6S
Molecular Weight350.45 g/mol
Exact Mass350.13
IUPAC Name2-[3-(2-methylpropyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
SMILESCC(C)Cn1cnc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1
InChIInChI=1S/C18H18N6S/c1-11(2)8-24-10-22-13(12-6-4-3-5-7-12)15(24)18-23-14-16(19)20-9-21-17(14)25-18/h3-7,9-11H,8H2,1-2H3,(H2,19,20,21)
InChIKeyYDDKBUNHUCXGEM-UHFFFAOYSA-N
XLogP3.86
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-[3-(2-methylpropyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 46879872) is 2-[3-(2-methylpropyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-[3-(2-methylpropyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-[3-(2-methylpropyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is CC(C)Cn1cnc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1.
What is the InChIKey of 2-[3-(2-methylpropyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is YDDKBUNHUCXGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6S/c1-11(2)8-24-10-22-13(12-6-4-3-5-7-12)15(24)18-23-14-16(19)20-9-21-17(14)25-18/h3-7,9-11H,8H2,1-2H3,(H2,19,20,21).
What are the key properties of 2-[3-(2-methylpropyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?
2-[3-(2-methylpropyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 350.45 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropyl)-5-phenylimidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 46879872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).