2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(1-pyridin-4-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyrimidin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C61H56Cl5F2N27O2S — CID 159116422

About 2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(1-pyridin-4-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyrimidin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(1-pyridin-4-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyrimidin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 159116422) has the molecular formula C61H56Cl5F2N27O2S and a molecular weight of 1446.63 g/mol. Its IUPAC name is 2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(1-pyridin-4-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyrimidin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(1-pyridin-4-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyrimidin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• PubChem CID: 159116422
• Molecular Formula: C61H56Cl5F2N27O2S
• Molecular Weight: 1446.63 g/mol
• Exact Mass: 1443.32
• IUPAC Name: 2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(1-pyridin-4-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyrimidin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• SMILES: CC(Nc1nc(Cl)nc2[nH]ccc12)c1ccncc1.CN(Cc1nccs1)c1nc(Cl)nc2[nH]ccc12.Clc1nc(NCc2ncccn2)c2cc[nH]c2n1.Cn1cccc1CNc1nc(Cl)nc2[nH]ccc12.FC1(F)CC(COc2nc3nc(Cl)nc(NCc4ncco4)c3[nH]2)C1
• InChI: InChI=1S/C14H13ClF2N6O2.C13H12ClN5.C12H12ClN5.C11H9ClN6.C11H10ClN5S/c15-12-21-10(19-5-8-18-1-2-24-8)9-11(22-12)23-13(20-9)25-6-7-3-14(16,17)4-7;1-8(9-2-5-15-6-3-9)17-12-10-4-7-16-11(10)18-13(14)19-12;1-18-6-2-3-8(18)7-15-11-9-4-5-14-10(9)16-12(13)17-11;12-11-17-9-7(2-5-15-9)10(18-11)16-6-8-13-3-1-4-14-8;1-17(6-8-13-4-5-18-8)10-7-2-3-14-9(7)15-11(12)16-10/h1-2,7H,3-6H2,(H2,19,20,21,22,23);2-8H,1H3,(H2,16,17,18,19);2-6H,7H2,1H3,(H2,14,15,16,17);1-5H,6H2,(H2,15,16,17,18);2-5H,6H2,1H3,(H,14,15,16)
• InChIKey: KFDMBMIZJYHMLB-UHFFFAOYSA-N
• XLogP: 13.49
• TPSA: 363.85 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 18
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1446.63
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(1-pyridin-4-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyrimidin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The IUPAC name of 2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(1-pyridin-4-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyrimidin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 159116422) is 2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(1-pyridin-4-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyrimidin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

What is the SMILES notation for 2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(1-pyridin-4-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyrimidin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The canonical SMILES for 2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(1-pyridin-4-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyrimidin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC(Nc1nc(Cl)nc2[nH]ccc12)c1ccncc1.CN(Cc1nccs1)c1nc(Cl)nc2[nH]ccc12.Clc1nc(NCc2ncccn2)c2cc[nH]c2n1.Cn1cccc1CNc1nc(Cl)nc2[nH]ccc12.FC1(F)CC(COc2nc3nc(Cl)nc(NCc4ncco4)c3[nH]2)C1.

What is the InChIKey of 2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(1-pyridin-4-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyrimidin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

The InChIKey is KFDMBMIZJYHMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N6O2.C13H12ClN5.C12H12ClN5.C11H9ClN6.C11H10ClN5S/c15-12-21-10(19-5-8-18-1-2-24-8)9-11(22-12)23-13(20-9)25-6-7-3-14(16,17)4-7;1-8(9-2-5-15-6-3-9)17-12-10-4-7-16-11(10)18-13(14)19-12;1-18-6-2-3-8(18)7-15-11-9-4-5-14-10(9)16-12(13)17-11;12-11-17-9-7(2-5-15-9)10(18-11)16-6-8-13-3-1-4-14-8;1-17(6-8-13-4-5-18-8)10-7-2-3-14-9(7)15-11(12)16-10/h1-2,7H,3-6H2,(H2,19,20,21,22,23);2-8H,1H3,(H2,16,17,18,19);2-6H,7H2,1H3,(H2,14,15,16,17);1-5H,6H2,(H2,15,16,17,18);2-5H,6H2,1H3,(H,14,15,16).

What are the key properties of 2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(1-pyridin-4-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyrimidin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?

2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(1-pyridin-4-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyrimidin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 1446.63 g/mol, XLogP of 13.49, 18 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-8-[(3,3-difluorocyclobutyl)methoxy]-N-(1,3-oxazol-2-ylmethyl)-7H-purin-6-amine;2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-methyl-N-(1,3-thiazol-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(1-pyridin-4-ylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;2-chloro-N-(pyrimidin-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 159116422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).