[1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol

C21H27FN4O — CID 133300453

IUPAC[1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(NCC3(c4ccc(F)cc4)CCC3)ncn2)C1
InChIInChI=1S/C21H27FN4O/c22-18-6-4-17(5-7-18)21(8-2-9-21)14-23-19-11-20(25-15-24-19)26-10-1-3-16(12-26)13-27/h4-7,11,15-16,27H,1-3,8-10,12-14H2,(H,23,24,25)
InChIKeyNOYILNVJZHIIFX-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.36
Rot. Bonds6

About [1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133300453) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is [1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID133300453
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name[1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(NCC3(c4ccc(F)cc4)CCC3)ncn2)C1
InChIInChI=1S/C21H27FN4O/c22-18-6-4-17(5-7-18)21(8-2-9-21)14-23-19-11-20(25-15-24-19)26-10-1-3-16(12-26)13-27/h4-7,11,15-16,27H,1-3,8-10,12-14H2,(H,23,24,25)
InChIKeyNOYILNVJZHIIFX-UHFFFAOYSA-N
XLogP3.36
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol with MolForge

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Related Compounds

[1-[6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133378629
[1-[6-[(4-bromophenyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133292882
2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 133324098
[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297322
[1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133304977
1-(3,5-dichlorophenyl)-2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 133308102
[1-[6-[2-(5-bromofuran-2-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133375019
[1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133350349
[1-[6-[[2-methyl-2-(3-methylphenyl)propyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133304152
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-6-methylpyrimidin-4-amine
CID 133297192
[1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133405989
[1-[6-[[1-(3-bromophenyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133298767

Frequently Asked Questions

What is the IUPAC name of [1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133300453) is [1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is OCC1CCCN(c2cc(NCC3(c4ccc(F)cc4)CCC3)ncn2)C1.
What is the InChIKey of [1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is NOYILNVJZHIIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c22-18-6-4-17(5-7-18)21(8-2-9-21)14-23-19-11-20(25-15-24-19)26-10-1-3-16(12-26)13-27/h4-7,11,15-16,27H,1-3,8-10,12-14H2,(H,23,24,25).
What are the key properties of [1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 370.47 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[[1-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133300453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).