[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-cyclopropylmethanol;[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-phenylmethanol;2-[3-methyl-5-phenyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

C61H55N19O2S3 — CID 87887527

About [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-cyclopropylmethanol;[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-phenylmethanol;2-[3-methyl-5-phenyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine

[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-cyclopropylmethanol;[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-phenylmethanol;2-[3-methyl-5-phenyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (PubChem CID 87887527) has the molecular formula C61H55N19O2S3 and a molecular weight of 1182.44 g/mol. Its IUPAC name is [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-cyclopropylmethanol;[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-phenylmethanol;2-[3-methyl-5-phenyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

• Compound Name: [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-cyclopropylmethanol;[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-phenylmethanol;2-[3-methyl-5-phenyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
• PubChem CID: 87887527
• Molecular Formula: C61H55N19O2S3
• Molecular Weight: 1182.44 g/mol
• Exact Mass: 1181.39
• IUPAC Name: [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-cyclopropylmethanol;[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-phenylmethanol;2-[3-methyl-5-phenyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
• SMILES: Cn1c(C(O)C2CC2)nc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1.Cn1c(C(O)c2ccccc2)nc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1.Cn1c(C2=CCNCC2)nc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1
• InChI: InChI=1S/C22H18N6OS.C20H19N7S.C19H18N6OS/c1-28-17(22-27-16-19(23)24-12-25-21(16)30-22)15(13-8-4-2-5-9-13)26-20(28)18(29)14-10-6-3-7-11-14;1-27-16(20-26-15-17(21)23-11-24-19(15)28-20)14(12-5-3-2-4-6-12)25-18(27)13-7-9-22-10-8-13;1-25-14(19-24-13-16(20)21-9-22-18(13)27-19)12(10-5-3-2-4-6-10)23-17(25)15(26)11-7-8-11/h2-12,18,29H,1H3,(H2,23,24,25);2-7,11,22H,8-10H2,1H3,(H2,21,23,24);2-6,9,11,15,26H,7-8H2,1H3,(H2,20,21,22)
• InChIKey: RKDJXRFXUFYJMT-UHFFFAOYSA-N
• XLogP: 10.11
• TPSA: 300.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 11
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1182.44
LogP ≤ 5	10.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-cyclopropylmethanol;[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-phenylmethanol;2-[3-methyl-5-phenyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

The IUPAC name of [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-cyclopropylmethanol;[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-phenylmethanol;2-[3-methyl-5-phenyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine (CID 87887527) is [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-cyclopropylmethanol;[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-phenylmethanol;2-[3-methyl-5-phenyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine.

What is the SMILES notation for [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-cyclopropylmethanol;[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-phenylmethanol;2-[3-methyl-5-phenyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

The canonical SMILES for [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-cyclopropylmethanol;[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-phenylmethanol;2-[3-methyl-5-phenyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is Cn1c(C(O)C2CC2)nc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1.Cn1c(C(O)c2ccccc2)nc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1.Cn1c(C2=CCNCC2)nc(-c2ccccc2)c1-c1nc2c(N)ncnc2s1.

What is the InChIKey of [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-cyclopropylmethanol;[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-phenylmethanol;2-[3-methyl-5-phenyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

The InChIKey is RKDJXRFXUFYJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6OS.C20H19N7S.C19H18N6OS/c1-28-17(22-27-16-19(23)24-12-25-21(16)30-22)15(13-8-4-2-5-9-13)26-20(28)18(29)14-10-6-3-7-11-14;1-27-16(20-26-15-17(21)23-11-24-19(15)28-20)14(12-5-3-2-4-6-12)25-18(27)13-7-9-22-10-8-13;1-25-14(19-24-13-16(20)21-9-22-18(13)27-19)12(10-5-3-2-4-6-10)23-17(25)15(26)11-7-8-11/h2-12,18,29H,1H3,(H2,23,24,25);2-7,11,22H,8-10H2,1H3,(H2,21,23,24);2-6,9,11,15,26H,7-8H2,1H3,(H2,20,21,22).

What are the key properties of [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-cyclopropylmethanol;[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-phenylmethanol;2-[3-methyl-5-phenyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine?

[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-cyclopropylmethanol;[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-phenylmethanol;2-[3-methyl-5-phenyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 1182.44 g/mol, XLogP of 10.11, 11 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-cyclopropylmethanol;[5-(7-amino-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)-1-methyl-4-phenylimidazol-2-yl]-phenylmethanol;2-[3-methyl-5-phenyl-2-(1,2,3,6-tetrahydropyridin-4-yl)imidazol-4-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 87887527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).