3-amino-5-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[(2,6-difluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol

C26H27F2N7O2S — CID 77446988

About 3-amino-5-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[(2,6-difluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol

3-amino-5-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[(2,6-difluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol (PubChem CID 77446988) has the molecular formula C26H27F2N7O2S and a molecular weight of 539.61 g/mol. Its IUPAC name is 3-amino-5-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[(2,6-difluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol.

Molecular Properties

• Compound Name: 3-amino-5-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[(2,6-difluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol
• PubChem CID: 77446988
• Molecular Formula: C26H27F2N7O2S
• Molecular Weight: 539.61 g/mol
• Exact Mass: 539.19
• IUPAC Name: 3-amino-5-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[(2,6-difluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol
• SMILES: Cc1nc(NCc2c(F)cccc2F)nc(NC2CC(N)C(O)C2O)c1-c1nc2c(C3CC3)nccc2s1
• InChI: InChI=1S/C26H27F2N7O2S/c1-11-19(25-34-21-18(38-25)7-8-30-20(21)12-5-6-12)24(33-17-9-16(29)22(36)23(17)37)35-26(32-11)31-10-13-14(27)3-2-4-15(13)28/h2-4,7-8,12,16-17,22-23,36-37H,5-6,9-10,29H2,1H3,(H2,31,32,33,35)
• InChIKey: UFZUEPPTOZNCGU-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 142.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.61
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[(2,6-difluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol?

The IUPAC name of 3-amino-5-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[(2,6-difluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol (CID 77446988) is 3-amino-5-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[(2,6-difluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol.

What is the SMILES notation for 3-amino-5-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[(2,6-difluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol?

The canonical SMILES for 3-amino-5-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[(2,6-difluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol is Cc1nc(NCc2c(F)cccc2F)nc(NC2CC(N)C(O)C2O)c1-c1nc2c(C3CC3)nccc2s1.

What is the InChIKey of 3-amino-5-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[(2,6-difluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol?

The InChIKey is UFZUEPPTOZNCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N7O2S/c1-11-19(25-34-21-18(38-25)7-8-30-20(21)12-5-6-12)24(33-17-9-16(29)22(36)23(17)37)35-26(32-11)31-10-13-14(27)3-2-4-15(13)28/h2-4,7-8,12,16-17,22-23,36-37H,5-6,9-10,29H2,1H3,(H2,31,32,33,35).

What are the key properties of 3-amino-5-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[(2,6-difluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol?

3-amino-5-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[(2,6-difluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol has a molecular weight of 539.61 g/mol, XLogP of 3.46, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-5-[[5-(4-cyclopropyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-[(2,6-difluorophenyl)methylamino]-6-methylpyrimidin-4-yl]amino]cyclopentane-1,2-diol is sourced from PubChem (CID 77446988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).