3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol

C20H28N4O2 — CID 133400187

IUPAC3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol
SMILESCC(Nc1cc(N2CCCC(CO)C2)ncn1)C(O)Cc1ccccc1
InChIInChI=1S/C20H28N4O2/c1-15(18(26)10-16-6-3-2-4-7-16)23-19-11-20(22-14-21-19)24-9-5-8-17(12-24)13-25/h2-4,6-7,11,14-15,17-18,25-26H,5,8-10,12-13H2,1H3,(H,21,22,23)
InChIKeyVXVACBHJUYXISZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.09
Rot. Bonds7

About 3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol

3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol (PubChem CID 133400187) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol.

Molecular Properties

Compound Name3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol
PubChem CID133400187
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol
SMILESCC(Nc1cc(N2CCCC(CO)C2)ncn1)C(O)Cc1ccccc1
InChIInChI=1S/C20H28N4O2/c1-15(18(26)10-16-6-3-2-4-7-16)23-19-11-20(22-14-21-19)24-9-5-8-17(12-24)13-25/h2-4,6-7,11,14-15,17-18,25-26H,5,8-10,12-13H2,1H3,(H,21,22,23)
InChIKeyVXVACBHJUYXISZ-UHFFFAOYSA-N
XLogP2.09
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol with MolForge

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Related Compounds

[1-[6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133346024
[1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133307782
[1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133380211
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid
CID 122060266
[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
[1-[6-[3-(3-bromophenyl)propylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133293839
[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297322
1-(3,5-dichlorophenyl)-2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 133308102
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]propanoic acid
CID 120964085
[1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133304977
[1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133406867

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol?
The IUPAC name of 3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol (CID 133400187) is 3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol.
What is the SMILES notation for 3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol?
The canonical SMILES for 3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol is CC(Nc1cc(N2CCCC(CO)C2)ncn1)C(O)Cc1ccccc1.
What is the InChIKey of 3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol?
The InChIKey is VXVACBHJUYXISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15(18(26)10-16-6-3-2-4-7-16)23-19-11-20(22-14-21-19)24-9-5-8-17(12-24)13-25/h2-4,6-7,11,14-15,17-18,25-26H,5,8-10,12-13H2,1H3,(H,21,22,23).
What are the key properties of 3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol?
3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol has a molecular weight of 356.47 g/mol, XLogP of 2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol is sourced from PubChem (CID 133400187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).