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

C15H19ClN4O — CID 142686981

IUPAC2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride
SMILESCl.Nc1nc(-c2ccccc2O)cc(C2CCCNC2)n1
InChIInChI=1S/C15H18N4O.ClH/c16-15-18-12(10-4-3-7-17-9-10)8-13(19-15)11-5-1-2-6-14(11)20;/h1-2,5-6,8,10,17,20H,3-4,7,9H2,(H2,16,18,19);1H
InChIKeyPSVREYTWYLTYPM-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.32
Rot. Bonds2

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

2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride (PubChem CID 142686981) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride.

Molecular Properties

Compound Name2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride
PubChem CID142686981
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride
SMILESCl.Nc1nc(-c2ccccc2O)cc(C2CCCNC2)n1
InChIInChI=1S/C15H18N4O.ClH/c16-15-18-12(10-4-3-7-17-9-10)8-13(19-15)11-5-1-2-6-14(11)20;/h1-2,5-6,8,10,17,20H,3-4,7,9H2,(H2,16,18,19);1H
InChIKeyPSVREYTWYLTYPM-UHFFFAOYSA-N
XLogP2.32
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride
CID 142686971
2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride
CID 135550626
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-phenylmethoxyphenol
CID 142686963
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol
CID 135481185
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-butoxyphenol
CID 142686901
2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)-4-methylphenol;dihydrochloride
CID 135618261
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(2-phenoxypropoxy)phenol
CID 135461062
2-amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile
CID 135550601
2-amino-4-(2-phenylpyrazol-3-yl)-6-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride
CID 171713187
2-(4-fluorophenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 110214014

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride?
The IUPAC name of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride (CID 142686981) is 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride.
What is the SMILES notation for 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride?
The canonical SMILES for 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride is Cl.Nc1nc(-c2ccccc2O)cc(C2CCCNC2)n1.
What is the InChIKey of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride?
The InChIKey is PSVREYTWYLTYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.ClH/c16-15-18-12(10-4-3-7-17-9-10)8-13(19-15)11-5-1-2-6-14(11)20;/h1-2,5-6,8,10,17,20H,3-4,7,9H2,(H2,16,18,19);1H.
What are the key properties of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride?
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride has a molecular weight of 306.80 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride is sourced from PubChem (CID 142686981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).