3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol

C14H17N3O2 — CID 117231253

IUPAC3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol
SMILESCNCCCOc1cnc(-c2cccc(O)c2)nc1
InChIInChI=1S/C14H17N3O2/c1-15-6-3-7-19-13-9-16-14(17-10-13)11-4-2-5-12(18)8-11/h2,4-5,8-10,15,18H,3,6-7H2,1H3
InChIKeyZPPVYXFFXJHTQC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.84
Rot. Bonds6

About 3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol

3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol (PubChem CID 117231253) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol
PubChem CID117231253
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol
SMILESCNCCCOc1cnc(-c2cccc(O)c2)nc1
InChIInChI=1S/C14H17N3O2/c1-15-6-3-7-19-13-9-16-14(17-10-13)11-4-2-5-12(18)8-11/h2,4-5,8-10,15,18H,3,6-7H2,1H3
InChIKeyZPPVYXFFXJHTQC-UHFFFAOYSA-N
XLogP1.84
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-ethylphenyl)pyrimidin-5-yl]oxy-N-methylpropan-1-amine
CID 70876394
N-methyl-2-[2-(3-methylphenyl)pyrimidin-5-yl]oxyethanamine
CID 117231174
N-methyl-3-[2-(4-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine
CID 117231256
3-[2-(methylamino)ethoxy]phenol
CID 83619980
N-methyl-3-[2-(2-methylphenyl)pyrimidin-5-yl]oxypropan-1-amine
CID 117231244
[2-(3-hydroxyphenyl)pyrimidin-5-yl] hydrogen carbonate
CID 117231285
2-[2-(3-methoxyphenyl)pyrimidin-5-yl]oxyethanol
CID 117230603
3-(2-chloropyrimidin-5-yl)oxy-N-methylpropan-1-amine
CID 117231271
5-[3-(methylamino)propoxy]pyrimidin-2-amine
CID 117231268
4-[[6-(3-hydroxyphenyl)-3-pyridinyl]oxy]butanoic acid
CID 142770731
N-methyl-3-phenoxypropan-1-amine
CID 22067856
3-[5-[2-(methylamino)ethyl]-1,3-thiazol-2-yl]phenol
CID 115091792

Frequently Asked Questions

What is the IUPAC name of 3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol?
The IUPAC name of 3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol (CID 117231253) is 3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol.
What is the SMILES notation for 3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol?
The canonical SMILES for 3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol is CNCCCOc1cnc(-c2cccc(O)c2)nc1.
What is the InChIKey of 3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol?
The InChIKey is ZPPVYXFFXJHTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-15-6-3-7-19-13-9-16-14(17-10-13)11-4-2-5-12(18)8-11/h2,4-5,8-10,15,18H,3,6-7H2,1H3.
What are the key properties of 3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol?
3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol has a molecular weight of 259.31 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-(methylamino)propoxy]pyrimidin-2-yl]phenol is sourced from PubChem (CID 117231253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).