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

C16H22Cl2N4O — CID 135618261

IUPAC2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)-4-methylphenol;dihydrochloride
SMILESCc1ccc(O)c(-c2cc(C3CCNCC3)nc(N)n2)c1.Cl.Cl
InChIInChI=1S/C16H20N4O.2ClH/c1-10-2-3-15(21)12(8-10)14-9-13(19-16(17)20-14)11-4-6-18-7-5-11;;/h2-3,8-9,11,18,21H,4-7H2,1H3,(H2,17,19,20);2*1H
InChIKeyVDGOQTVLCNSFFS-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.05
Rot. Bonds2

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

2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)-4-methylphenol;dihydrochloride (PubChem CID 135618261) has the molecular formula C16H22Cl2N4O and a molecular weight of 357.29 g/mol. Its IUPAC name is 2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)-4-methylphenol;dihydrochloride.

Molecular Properties

Compound Name2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)-4-methylphenol;dihydrochloride
PubChem CID135618261
Molecular FormulaC16H22Cl2N4O
Molecular Weight357.29 g/mol
Exact Mass356.12
IUPAC Name2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)-4-methylphenol;dihydrochloride
SMILESCc1ccc(O)c(-c2cc(C3CCNCC3)nc(N)n2)c1.Cl.Cl
InChIInChI=1S/C16H20N4O.2ClH/c1-10-2-3-15(21)12(8-10)14-9-13(19-16(17)20-14)11-4-6-18-7-5-11;;/h2-3,8-9,11,18,21H,4-7H2,1H3,(H2,17,19,20);2*1H
InChIKeyVDGOQTVLCNSFFS-UHFFFAOYSA-N
XLogP3.05
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)-4-methylphenol;dihydrochloride?
The IUPAC name of 2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)-4-methylphenol;dihydrochloride (CID 135618261) is 2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)-4-methylphenol;dihydrochloride.
What is the SMILES notation for 2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)-4-methylphenol;dihydrochloride?
The canonical SMILES for 2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)-4-methylphenol;dihydrochloride is Cc1ccc(O)c(-c2cc(C3CCNCC3)nc(N)n2)c1.Cl.Cl.
What is the InChIKey of 2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)-4-methylphenol;dihydrochloride?
The InChIKey is VDGOQTVLCNSFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.2ClH/c1-10-2-3-15(21)12(8-10)14-9-13(19-16(17)20-14)11-4-6-18-7-5-11;;/h2-3,8-9,11,18,21H,4-7H2,1H3,(H2,17,19,20);2*1H.
What are the key properties of 2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)-4-methylphenol;dihydrochloride?
2-(2-amino-6-piperidin-4-ylpyrimidin-4-yl)-4-methylphenol;dihydrochloride has a molecular weight of 357.29 g/mol, XLogP of 3.05, 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-4-ylpyrimidin-4-yl)-4-methylphenol;dihydrochloride is sourced from PubChem (CID 135618261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).