4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine

C17H19FN6O — CID 72846151

IUPAC4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)nc(N)n1
InChIInChI=1S/C17H19FN6O/c1-25-15-9-14(22-17(19)23-15)24-6-4-10(5-7-24)16-20-12-3-2-11(18)8-13(12)21-16/h2-3,8-10H,4-7H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyDDGTUFWUTGIEQC-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.47
Rot. Bonds3

About 4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine

4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine (PubChem CID 72846151) has the molecular formula C17H19FN6O and a molecular weight of 342.38 g/mol. Its IUPAC name is 4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
PubChem CID72846151
Molecular FormulaC17H19FN6O
Molecular Weight342.38 g/mol
Exact Mass342.16
IUPAC Name4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
SMILESCOc1cc(N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)nc(N)n1
InChIInChI=1S/C17H19FN6O/c1-25-15-9-14(22-17(19)23-15)24-6-4-10(5-7-24)16-20-12-3-2-11(18)8-13(12)21-16/h2-3,8-10H,4-7H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyDDGTUFWUTGIEQC-UHFFFAOYSA-N
XLogP2.47
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-6-methoxypyrimidin-2-amine
CID 97282747
4-methoxy-6-(4-piperidin-4-ylpiperidin-1-yl)pyrimidin-2-amine
CID 146044412
8-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 176501441
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CID 75131975
6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole
CID 91834299
2-[1-[4-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]-6-fluoro-1H-benzimidazole
CID 46986094
1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 70726537
N,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid
CID 172913026
3-(6-fluoro-1H-benzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551613
[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 70776944
4-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-6-methoxypyrimidin-2-amine
CID 45250223
4-chloro-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyrimidin-2-amine
CID 133422188

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine (CID 72846151) is 4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine is COc1cc(N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)nc(N)n1.
What is the InChIKey of 4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine?
The InChIKey is DDGTUFWUTGIEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O/c1-25-15-9-14(22-17(19)23-15)24-6-4-10(5-7-24)16-20-12-3-2-11(18)8-13(12)21-16/h2-3,8-10H,4-7H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine?
4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine has a molecular weight of 342.38 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 72846151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).