[1-[6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol

C19H23FN6O — CID 133378629

IUPAC[1-[6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(NCCc3nc4ccc(F)cc4[nH]3)ncn2)C1
InChIInChI=1S/C19H23FN6O/c20-14-3-4-15-16(8-14)25-17(24-15)5-6-21-18-9-19(23-12-22-18)26-7-1-2-13(10-26)11-27/h3-4,8-9,12-13,27H,1-2,5-7,10-11H2,(H,24,25)(H,21,22,23)
InChIKeyCIUNFLPCPFFESZ-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.36
Rot. Bonds6

About [1-[6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133378629) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is [1-[6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID133378629
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name[1-[6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(NCCc3nc4ccc(F)cc4[nH]3)ncn2)C1
InChIInChI=1S/C19H23FN6O/c20-14-3-4-15-16(8-14)25-17(24-15)5-6-21-18-9-19(23-12-22-18)26-7-1-2-13(10-26)11-27/h3-4,8-9,12-13,27H,1-2,5-7,10-11H2,(H,24,25)(H,21,22,23)
InChIKeyCIUNFLPCPFFESZ-UHFFFAOYSA-N
XLogP2.36
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133300453
[1-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133305982
[1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133375019
N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133359380
[1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133304977
[(3S)-1-[6-[2-(1-benzothiophen-3-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 171359084
2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 133324098
[1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133293839
[1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133350349
[1-[6-[(4-bromophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133292882
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336950
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336934

Frequently Asked Questions

What is the IUPAC name of [1-[6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133378629) is [1-[6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is OCC1CCCN(c2cc(NCCc3nc4ccc(F)cc4[nH]3)ncn2)C1.
What is the InChIKey of [1-[6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is CIUNFLPCPFFESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O/c20-14-3-4-15-16(8-14)25-17(24-15)5-6-21-18-9-19(23-12-22-18)26-7-1-2-13(10-26)11-27/h3-4,8-9,12-13,27H,1-2,5-7,10-11H2,(H,24,25)(H,21,22,23).
What are the key properties of [1-[6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 370.43 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133378629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).