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

C19H26N4O2 — CID 142686901

IUPAC2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-butoxyphenol
SMILESCCCCOc1cccc(O)c1-c1cc(C2CCCNC2)nc(N)n1
InChIInChI=1S/C19H26N4O2/c1-2-3-10-25-17-8-4-7-16(24)18(17)15-11-14(22-19(20)23-15)13-6-5-9-21-12-13/h4,7-8,11,13,21,24H,2-3,5-6,9-10,12H2,1H3,(H2,20,22,23)
InChIKeyFISAWNSFPVOKSS-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.08
Rot. Bonds6

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

2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-butoxyphenol (PubChem CID 142686901) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-butoxyphenol.

Molecular Properties

Compound Name2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-butoxyphenol
PubChem CID142686901
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-butoxyphenol
SMILESCCCCOc1cccc(O)c1-c1cc(C2CCCNC2)nc(N)n1
InChIInChI=1S/C19H26N4O2/c1-2-3-10-25-17-8-4-7-16(24)18(17)15-11-14(22-19(20)23-15)13-6-5-9-21-12-13/h4,7-8,11,13,21,24H,2-3,5-6,9-10,12H2,1H3,(H2,20,22,23)
InChIKeyFISAWNSFPVOKSS-UHFFFAOYSA-N
XLogP3.08
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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
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)-3-phenylmethoxyphenol
CID 142686963
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(2-phenoxypropoxy)phenol
CID 135461062
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-(2,2-dimethylpropoxy)phenol
CID 135453352
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-[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
2-amino-6-[2-hydroxy-6-[(4-methylphenyl)methoxy]phenyl]-4-piperidin-3-ylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 169430295

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-butoxyphenol?
The IUPAC name of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-butoxyphenol (CID 142686901) is 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-butoxyphenol.
What is the SMILES notation for 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-butoxyphenol?
The canonical SMILES for 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-butoxyphenol is CCCCOc1cccc(O)c1-c1cc(C2CCCNC2)nc(N)n1.
What is the InChIKey of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-butoxyphenol?
The InChIKey is FISAWNSFPVOKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-3-10-25-17-8-4-7-16(24)18(17)15-11-14(22-19(20)23-15)13-6-5-9-21-12-13/h4,7-8,11,13,21,24H,2-3,5-6,9-10,12H2,1H3,(H2,20,22,23).
What are the key properties of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-butoxyphenol?
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-butoxyphenol has a molecular weight of 342.44 g/mol, XLogP of 3.08, 6 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-butoxyphenol is sourced from PubChem (CID 142686901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).