6-(3-aminocyclobutyl)-4-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine

C17H20FN7 — CID 91763057

IUPAC6-(3-aminocyclobutyl)-4-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESNc1nc(NCCc2nc3ccc(F)cc3[nH]2)cc(C2CC(N)C2)n1
InChIInChI=1S/C17H20FN7/c18-10-1-2-12-14(7-10)23-15(22-12)3-4-21-16-8-13(24-17(20)25-16)9-5-11(19)6-9/h1-2,7-9,11H,3-6,19H2,(H,22,23)(H3,20,21,24,25)
InChIKeyQILCGTUFEVTDGS-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.93
Rot. Bonds5

About 6-(3-aminocyclobutyl)-4-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine

6-(3-aminocyclobutyl)-4-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 91763057) has the molecular formula C17H20FN7 and a molecular weight of 341.39 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID91763057
Molecular FormulaC17H20FN7
Molecular Weight341.39 g/mol
Exact Mass341.18
IUPAC Name6-(3-aminocyclobutyl)-4-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESNc1nc(NCCc2nc3ccc(F)cc3[nH]2)cc(C2CC(N)C2)n1
InChIInChI=1S/C17H20FN7/c18-10-1-2-12-14(7-10)23-15(22-12)3-4-21-16-8-13(24-17(20)25-16)9-5-11(19)6-9/h1-2,7-9,11H,3-6,19H2,(H,22,23)(H3,20,21,24,25)
InChIKeyQILCGTUFEVTDGS-UHFFFAOYSA-N
XLogP1.93
TPSA118.53 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine (CID 91763057) is 6-(3-aminocyclobutyl)-4-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine is Nc1nc(NCCc2nc3ccc(F)cc3[nH]2)cc(C2CC(N)C2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is QILCGTUFEVTDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN7/c18-10-1-2-12-14(7-10)23-15(22-12)3-4-21-16-8-13(24-17(20)25-16)9-5-11(19)6-9/h1-2,7-9,11H,3-6,19H2,(H,22,23)(H3,20,21,24,25).
What are the key properties of 6-(3-aminocyclobutyl)-4-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine?
6-(3-aminocyclobutyl)-4-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 341.39 g/mol, XLogP of 1.93, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 91763057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).