2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol

C17H22N4O2 — CID 133448199

IUPAC2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol
SMILESCOc1cccc(CNc2cc(N3CCCCC3)ncn2)c1O
InChIInChI=1S/C17H22N4O2/c1-23-14-7-5-6-13(17(14)22)11-18-15-10-16(20-12-19-15)21-8-3-2-4-9-21/h5-7,10,12,22H,2-4,8-9,11H2,1H3,(H,18,19,20)
InChIKeyFQGCYVNHUIHQND-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.79
Rot. Bonds5

About 2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol

2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol (PubChem CID 133448199) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol
PubChem CID133448199
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol
SMILESCOc1cccc(CNc2cc(N3CCCCC3)ncn2)c1O
InChIInChI=1S/C17H22N4O2/c1-23-14-7-5-6-13(17(14)22)11-18-15-10-16(20-12-19-15)21-8-3-2-4-9-21/h5-7,10,12,22H,2-4,8-9,11H2,1H3,(H,18,19,20)
InChIKeyFQGCYVNHUIHQND-UHFFFAOYSA-N
XLogP2.79
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dimethoxyphenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544779
N-[(2,4-dimethylphenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297567
N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133304157
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858927
N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855731
N-[(6-methoxy-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282422
2-(2,3-dimethylphenoxy)-N-(6-piperidin-1-ylpyrimidin-4-yl)acetamide
CID 90544545
N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855662
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024
2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol
CID 91897136
1-(2,3-dichlorophenoxy)-3-[(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 133298934
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]pyrimidin-4-amine
CID 112858906

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol (CID 133448199) is 2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol is COc1cccc(CNc2cc(N3CCCCC3)ncn2)c1O.
What is the InChIKey of 2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol?
The InChIKey is FQGCYVNHUIHQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-23-14-7-5-6-13(17(14)22)11-18-15-10-16(20-12-19-15)21-8-3-2-4-9-21/h5-7,10,12,22H,2-4,8-9,11H2,1H3,(H,18,19,20).
What are the key properties of 2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol?
2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol has a molecular weight of 314.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 133448199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).