[1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol

C19H25FN4O — CID 133350349

IUPAC[1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCc1ccc(C(C)Nc2cc(N3CCCC(CO)C3)ncn2)cc1F
InChIInChI=1S/C19H25FN4O/c1-13-5-6-16(8-17(13)20)14(2)23-18-9-19(22-12-21-18)24-7-3-4-15(10-24)11-25/h5-6,8-9,12,14-15,25H,3-4,7,10-11H2,1-2H3,(H,21,22,23)
InChIKeyBCUCYSXNRJJLIH-UHFFFAOYSA-N
MW344.43 g/mol
LogP3.31
Rot. Bonds5

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

[1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133350349) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is [1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID133350349
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name[1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCc1ccc(C(C)Nc2cc(N3CCCC(CO)C3)ncn2)cc1F
InChIInChI=1S/C19H25FN4O/c1-13-5-6-16(8-17(13)20)14(2)23-18-9-19(22-12-21-18)24-7-3-4-15(10-24)11-25/h5-6,8-9,12,14-15,25H,3-4,7,10-11H2,1-2H3,(H,21,22,23)
InChIKeyBCUCYSXNRJJLIH-UHFFFAOYSA-N
XLogP3.31
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133307782
3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol
CID 133400187
[1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133304977
[1-[6-[1-(3-chloro-4-fluorophenyl)ethylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133298672
[1-[6-[2-(4-methylpyrazol-1-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133281793
[1-[6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133305982
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid
CID 122060266
[1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133346024
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(3S)-1-[6-(propylamino)pyrimidin-4-yl]piperidin-3-yl]propanamide
CID 98749568
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-(4-fluorophenyl)cyclobutyl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133300453

Frequently Asked Questions

What is the IUPAC name of [1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133350349) is [1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is Cc1ccc(C(C)Nc2cc(N3CCCC(CO)C3)ncn2)cc1F.
What is the InChIKey of [1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is BCUCYSXNRJJLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-13-5-6-16(8-17(13)20)14(2)23-18-9-19(22-12-21-18)24-7-3-4-15(10-24)11-25/h5-6,8-9,12,14-15,25H,3-4,7,10-11H2,1-2H3,(H,21,22,23).
What are the key properties of [1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 344.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[1-(3-fluoro-4-methylphenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133350349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).