N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-pyridin-3-ylpyrimidin-2-amine

C19H17FN6 — CID 72852948

IUPACN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-pyridin-3-ylpyrimidin-2-amine
SMILESCN(CCc1nc2ccc(F)cc2[nH]1)c1nccc(-c2cccnc2)n1
InChIInChI=1S/C19H17FN6/c1-26(10-7-18-23-16-5-4-14(20)11-17(16)24-18)19-22-9-6-15(25-19)13-3-2-8-21-12-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,23,24)
InChIKeyAIZJRZYZXKMWKB-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.23
Rot. Bonds5

About N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-pyridin-3-ylpyrimidin-2-amine

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 72852948) has the molecular formula C19H17FN6 and a molecular weight of 348.39 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID72852948
Molecular FormulaC19H17FN6
Molecular Weight348.39 g/mol
Exact Mass348.15
IUPAC NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-pyridin-3-ylpyrimidin-2-amine
SMILESCN(CCc1nc2ccc(F)cc2[nH]1)c1nccc(-c2cccnc2)n1
InChIInChI=1S/C19H17FN6/c1-26(10-7-18-23-16-5-4-14(20)11-17(16)24-18)19-22-9-6-15(25-19)13-3-2-8-21-12-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,23,24)
InChIKeyAIZJRZYZXKMWKB-UHFFFAOYSA-N
XLogP3.23
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133349441
3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol
CID 72845904
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(4-methoxy-2-pyridinyl)-N-methylmethanamine
CID 134711439
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 134698957
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-2-oxo-1-pyridin-3-ylpyridine-3-carboxamide
CID 172658239
2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl-methylamino]-N-(3-methylphenyl)acetamide
CID 135101659
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
5-[6-(4-fluorophenyl)naphthalen-2-yl]-2-pyridin-3-ylpyridine
CID 169294016
1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylpentyl)urea
CID 122566085

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-pyridin-3-ylpyrimidin-2-amine (CID 72852948) is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-pyridin-3-ylpyrimidin-2-amine is CN(CCc1nc2ccc(F)cc2[nH]1)c1nccc(-c2cccnc2)n1.
What is the InChIKey of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is AIZJRZYZXKMWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6/c1-26(10-7-18-23-16-5-4-14(20)11-17(16)24-18)19-22-9-6-15(25-19)13-3-2-8-21-12-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,23,24).
What are the key properties of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-pyridin-3-ylpyrimidin-2-amine?
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 348.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 72852948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).