4-N-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine

C18H16FN7 — CID 67451169

IUPAC4-N-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCC(Nc1cc(N)ncn1)c1nc2cc(F)ccc2n1-c1ccccn1
InChIInChI=1S/C18H16FN7/c1-11(24-16-9-15(20)22-10-23-16)18-25-13-8-12(19)5-6-14(13)26(18)17-4-2-3-7-21-17/h2-11H,1H3,(H3,20,22,23,24)
InChIKeyARWYNKZCTFUQNF-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.10
Rot. Bonds4

About 4-N-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine

4-N-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 67451169) has the molecular formula C18H16FN7 and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-N-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID67451169
Molecular FormulaC18H16FN7
Molecular Weight349.37 g/mol
Exact Mass349.15
IUPAC Name4-N-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine
SMILESCC(Nc1cc(N)ncn1)c1nc2cc(F)ccc2n1-c1ccccn1
InChIInChI=1S/C18H16FN7/c1-11(24-16-9-15(20)22-10-23-16)18-25-13-8-12(19)5-6-14(13)26(18)17-4-2-3-7-21-17/h2-11H,1H3,(H3,20,22,23,24)
InChIKeyARWYNKZCTFUQNF-UHFFFAOYSA-N
XLogP3.10
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-6-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile;4-amino-6-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethylamino]pyrimidine-5-carbonitrile
CID 159749712
4-amino-6-[[(1R)-1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 58459373
4-N-[1-[1-(3,5-difluorophenyl)-4-fluorobenzimidazol-2-yl]ethyl]pyrimidine-4,6-diamine
CID 67461796
5-fluoro-2-methoxy-1-pyridin-2-ylbenzimidazole
CID 59841482
5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 43662111
4-N-[(1S)-1-(7-bromo-1-cyclopropyl-6-fluorobenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 141346025
4-amino-6-[[(1R)-1-[6-fluoro-1-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile;4-amino-6-[[(1S)-1-[6-fluoro-1-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 157168454
4-amino-6-[[(1S)-1-[6-fluoro-1-(5-pyridin-2-yl-3-pyridinyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 58459331
2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781349
4-amino-6-[[(1S)-1-(6-fluoro-1-pyridin-3-ylbenzimidazol-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
CID 58459229
2-chloro-4-N-[(1S)-1-(6-fluoro-1-phenylbenzimidazol-2-yl)ethyl]pyrimidine-4,5-diamine
CID 88948354
tert-butyl N-[1-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate
CID 77456065

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine (CID 67451169) is 4-N-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine is CC(Nc1cc(N)ncn1)c1nc2cc(F)ccc2n1-c1ccccn1.
What is the InChIKey of 4-N-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is ARWYNKZCTFUQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN7/c1-11(24-16-9-15(20)22-10-23-16)18-25-13-8-12(19)5-6-14(13)26(18)17-4-2-3-7-21-17/h2-11H,1H3,(H3,20,22,23,24).
What are the key properties of 4-N-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine?
4-N-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 349.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(5-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 67451169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).