2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(2-phenoxypropoxy)phenol

C24H28N4O3 — CID 135461062

IUPAC2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(2-phenoxypropoxy)phenol
SMILESCC(COc1cccc(O)c1-c1cc(C2CCCNC2)nc(N)n1)Oc1ccccc1
InChIInChI=1S/C24H28N4O3/c1-16(31-18-8-3-2-4-9-18)15-30-22-11-5-10-21(29)23(22)20-13-19(27-24(25)28-20)17-7-6-12-26-14-17/h2-5,8-11,13,16-17,26,29H,6-7,12,14-15H2,1H3,(H2,25,27,28)
InChIKeyOVKUHHMCOKSOKV-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.74
Rot. Bonds7

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

2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(2-phenoxypropoxy)phenol (PubChem CID 135461062) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(2-phenoxypropoxy)phenol.

Molecular Properties

Compound Name2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(2-phenoxypropoxy)phenol
PubChem CID135461062
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(2-phenoxypropoxy)phenol
SMILESCC(COc1cccc(O)c1-c1cc(C2CCCNC2)nc(N)n1)Oc1ccccc1
InChIInChI=1S/C24H28N4O3/c1-16(31-18-8-3-2-4-9-18)15-30-22-11-5-10-21(29)23(22)20-13-19(27-24(25)28-20)17-7-6-12-26-14-17/h2-5,8-11,13,16-17,26,29H,6-7,12,14-15H2,1H3,(H2,25,27,28)
InChIKeyOVKUHHMCOKSOKV-UHFFFAOYSA-N
XLogP3.74
TPSA102.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-phenylmethoxyphenol
CID 142686963
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride
CID 135618266
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-butoxyphenol
CID 142686901
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol
CID 135481185
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride
CID 142686934
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride
CID 142686981
2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-phenylmethoxyphenol;methane
CID 157188587
2-[6-amino-5-(hydroxymethyl)-4-piperidin-3-yl-2-pyridinyl]-3-(2,2-dimethylpropoxy)phenol
CID 135453352
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
4-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride
CID 142686971
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-(2-phenoxypropoxy)phenol?
The IUPAC name of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(2-phenoxypropoxy)phenol (CID 135461062) is 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(2-phenoxypropoxy)phenol.
What is the SMILES notation for 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(2-phenoxypropoxy)phenol?
The canonical SMILES for 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(2-phenoxypropoxy)phenol is CC(COc1cccc(O)c1-c1cc(C2CCCNC2)nc(N)n1)Oc1ccccc1.
What is the InChIKey of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(2-phenoxypropoxy)phenol?
The InChIKey is OVKUHHMCOKSOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-16(31-18-8-3-2-4-9-18)15-30-22-11-5-10-21(29)23(22)20-13-19(27-24(25)28-20)17-7-6-12-26-14-17/h2-5,8-11,13,16-17,26,29H,6-7,12,14-15H2,1H3,(H2,25,27,28).
What are the key properties of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(2-phenoxypropoxy)phenol?
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(2-phenoxypropoxy)phenol has a molecular weight of 420.51 g/mol, XLogP of 3.74, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(2-phenoxypropoxy)phenol is sourced from PubChem (CID 135461062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).