2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride

C17H24Cl2N4O2 — CID 135618266

IUPAC2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride
SMILESCCOc1cccc(O)c1-c1cc(C2CCCNC2)nc(N)n1.Cl.Cl
InChIInChI=1S/C17H22N4O2.2ClH/c1-2-23-15-7-3-6-14(22)16(15)13-9-12(20-17(18)21-13)11-5-4-8-19-10-11;;/h3,6-7,9,11,19,22H,2,4-5,8,10H2,1H3,(H2,18,20,21);2*1H
InChIKeyZOGIZUJKSMJCEZ-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.14
Rot. Bonds4

About 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride

2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride (PubChem CID 135618266) has the molecular formula C17H24Cl2N4O2 and a molecular weight of 387.31 g/mol. Its IUPAC name is 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride.

Molecular Properties

Compound Name2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride
PubChem CID135618266
Molecular FormulaC17H24Cl2N4O2
Molecular Weight387.31 g/mol
Exact Mass386.13
IUPAC Name2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride
SMILESCCOc1cccc(O)c1-c1cc(C2CCCNC2)nc(N)n1.Cl.Cl
InChIInChI=1S/C17H22N4O2.2ClH/c1-2-23-15-7-3-6-14(22)16(15)13-9-12(20-17(18)21-13)11-5-4-8-19-10-11;;/h3,6-7,9,11,19,22H,2,4-5,8,10H2,1H3,(H2,18,20,21);2*1H
InChIKeyZOGIZUJKSMJCEZ-UHFFFAOYSA-N
XLogP3.14
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride?
The IUPAC name of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride (CID 135618266) is 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride.
What is the SMILES notation for 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride?
The canonical SMILES for 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride is CCOc1cccc(O)c1-c1cc(C2CCCNC2)nc(N)n1.Cl.Cl.
What is the InChIKey of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride?
The InChIKey is ZOGIZUJKSMJCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.2ClH/c1-2-23-15-7-3-6-14(22)16(15)13-9-12(20-17(18)21-13)11-5-4-8-19-10-11;;/h3,6-7,9,11,19,22H,2,4-5,8,10H2,1H3,(H2,18,20,21);2*1H.
What are the key properties of 2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride?
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-ethoxyphenol;dihydrochloride has a molecular weight of 387.31 g/mol, XLogP of 3.14, 4 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-ethoxyphenol;dihydrochloride is sourced from PubChem (CID 135618266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).