3-[2-amino-6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol

C17H19ClN6O — CID 91771582

About 3-[2-amino-6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91771582) has the molecular formula C17H19ClN6O and a molecular weight of 358.83 g/mol. Its IUPAC name is 3-[2-amino-6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

• Compound Name: 3-[2-amino-6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol
• PubChem CID: 91771582
• Molecular Formula: C17H19ClN6O
• Molecular Weight: 358.83 g/mol
• Exact Mass: 358.13
• IUPAC Name: 3-[2-amino-6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol
• SMILES: CN(Cc1nc2ccc(Cl)cc2[nH]1)c1cc(C2CC(O)C2)nc(N)n1
• InChI: InChI=1S/C17H19ClN6O/c1-24(8-15-20-12-3-2-10(18)6-14(12)21-15)16-7-13(22-17(19)23-16)9-4-11(25)5-9/h2-3,6-7,9,11,25H,4-5,8H2,1H3,(H,20,21)(H2,19,22,23)
• InChIKey: UZZBJHVEFGEMPP-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 103.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.83
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol?

The IUPAC name of 3-[2-amino-6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91771582) is 3-[2-amino-6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

What is the SMILES notation for 3-[2-amino-6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol?

The canonical SMILES for 3-[2-amino-6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol is CN(Cc1nc2ccc(Cl)cc2[nH]1)c1cc(C2CC(O)C2)nc(N)n1.

What is the InChIKey of 3-[2-amino-6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol?

The InChIKey is UZZBJHVEFGEMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O/c1-24(8-15-20-12-3-2-10(18)6-14(12)21-15)16-7-13(22-17(19)23-16)9-4-11(25)5-9/h2-3,6-7,9,11,25H,4-5,8H2,1H3,(H,20,21)(H2,19,22,23).

What are the key properties of 3-[2-amino-6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol?

3-[2-amino-6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 358.83 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-amino-6-[(6-chloro-1H-benzimidazol-2-yl)methyl-methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91771582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).