2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol

C22H24N4O2 — CID 142686963

IUPAC2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol
SMILESNc1nc(-c2c(O)cccc2OCc2ccccc2)cc(C2CCCNC2)n1
InChIInChI=1S/C22H24N4O2/c23-22-25-17(16-8-5-11-24-13-16)12-18(26-22)21-19(27)9-4-10-20(21)28-14-15-6-2-1-3-7-15/h1-4,6-7,9-10,12,16,24,27H,5,8,11,13-14H2,(H2,23,25,26)
InChIKeyPCAAKZUVFHRHNG-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.48
Rot. Bonds5

About 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol

2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol (PubChem CID 142686963) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol.

Molecular Properties

Compound Name2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol
PubChem CID142686963
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol
SMILESNc1nc(-c2c(O)cccc2OCc2ccccc2)cc(C2CCCNC2)n1
InChIInChI=1S/C22H24N4O2/c23-22-25-17(16-8-5-11-24-13-16)12-18(26-22)21-19(27)9-4-10-20(21)28-14-15-6-2-1-3-7-15/h1-4,6-7,9-10,12,16,24,27H,5,8,11,13-14H2,(H2,23,25,26)
InChIKeyPCAAKZUVFHRHNG-UHFFFAOYSA-N
XLogP3.48
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol
CID 135481185
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride
CID 135618266
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride
CID 142686934
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-butoxyphenol
CID 142686901
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(2-phenoxypropoxy)phenol
CID 135461062
2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane
CID 157188587
2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbaldehyde;hydrochloride
CID 135550596
3-[(4-tert-butylphenyl)methoxy]-2-(5,6-diamino-4-piperidin-3-yl-2-pyridinyl)phenol
CID 136634040
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride
CID 142686981
2-phenylmethoxy-4-piperidin-3-ylphenol
CID 117455625
2-amino-6-[2-hydroxy-6-[(4-methylphenyl)methoxy]phenyl]-4-piperidin-3-ylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 169430295
2-amino-6-[2-hydroxy-6-(naphthalen-2-ylmethoxy)phenyl]-4-piperidin-3-ylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 160960323

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol?
The IUPAC name of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol (CID 142686963) is 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol.
What is the SMILES notation for 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol?
The canonical SMILES for 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol is Nc1nc(-c2c(O)cccc2OCc2ccccc2)cc(C2CCCNC2)n1.
What is the InChIKey of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol?
The InChIKey is PCAAKZUVFHRHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-22-25-17(16-8-5-11-24-13-16)12-18(26-22)21-19(27)9-4-10-20(21)28-14-15-6-2-1-3-7-15/h1-4,6-7,9-10,12,16,24,27H,5,8,11,13-14H2,(H2,23,25,26).
What are the key properties of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol?
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol has a molecular weight of 376.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol is sourced from PubChem (CID 142686963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).