[1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol

C23H30N6O — CID 133380211

IUPAC[1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCC(C)c1nn(-c2ccccc2)cc1CNc1cc(N2CCCC(CO)C2)ncn1
InChIInChI=1S/C23H30N6O/c1-17(2)23-19(14-29(27-23)20-8-4-3-5-9-20)12-24-21-11-22(26-16-25-21)28-10-6-7-18(13-28)15-30/h3-5,8-9,11,14,16-18,30H,6-7,10,12-13,15H2,1-2H3,(H,24,25,26)
InChIKeyGKQDAIBBZWDAHB-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.61
Rot. Bonds7

About [1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133380211) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is [1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID133380211
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name[1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCC(C)c1nn(-c2ccccc2)cc1CNc1cc(N2CCCC(CO)C2)ncn1
InChIInChI=1S/C23H30N6O/c1-17(2)23-19(14-29(27-23)20-8-4-3-5-9-20)12-24-21-11-22(26-16-25-21)28-10-6-7-18(13-28)15-30/h3-5,8-9,11,14,16-18,30H,6-7,10,12-13,15H2,1-2H3,(H,24,25,26)
InChIKeyGKQDAIBBZWDAHB-UHFFFAOYSA-N
XLogP3.61
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol
CID 133400187
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[1-[6-[(2-piperidin-1-yl-4-pyridinyl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297322
[1-[6-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
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[1-[6-[[1-(3-bromophenyl)pyrrolidin-3-yl]methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
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CID 171359084
[1-[6-[1-(2,3-dichlorophenyl)ethylamino]pyrimidin-4-yl]piperidin-3-yl]methanol
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[1-[6-(3-methylsulfanylpropylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133304977
[1-[6-[[2-methyl-2-(3-methylphenyl)propyl]amino]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133304152
2-[[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 133324098
[1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 66570083
[(3R)-1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 86331729

Frequently Asked Questions

What is the IUPAC name of [1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133380211) is [1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is CC(C)c1nn(-c2ccccc2)cc1CNc1cc(N2CCCC(CO)C2)ncn1.
What is the InChIKey of [1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is GKQDAIBBZWDAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-17(2)23-19(14-29(27-23)20-8-4-3-5-9-20)12-24-21-11-22(26-16-25-21)28-10-6-7-18(13-28)15-30/h3-5,8-9,11,14,16-18,30H,6-7,10,12-13,15H2,1-2H3,(H,24,25,26).
What are the key properties of [1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 406.53 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methylamino]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133380211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).