3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethyl]phenol

C13H18N2O — CID 102437518

IUPAC3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethyl]phenol
SMILESCN1CCCN=C1CCc1cccc(O)c1
InChIInChI=1S/C13H18N2O/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h2,4-5,10,16H,3,6-9H2,1H3
InChIKeyZSUGXXVEDIYGTH-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.06
Rot. Bonds3

About 3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethyl]phenol

3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethyl]phenol (PubChem CID 102437518) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethyl]phenol.

Molecular Properties

Compound Name3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethyl]phenol
PubChem CID102437518
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethyl]phenol
SMILESCN1CCCN=C1CCc1cccc(O)c1
InChIInChI=1S/C13H18N2O/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h2,4-5,10,16H,3,6-9H2,1H3
InChIKeyZSUGXXVEDIYGTH-UHFFFAOYSA-N
XLogP2.06
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5281087
DBU phenol salt
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3-[2-[2-(4,5-dihydro-1H-imidazol-2-yl)propyl]phenyl]phenol
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CID 44311908
1-Methyl-4-(3-hydroxyphenyl)-1,2,3,6-tetrahydropyridine
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3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenol;hydrochloride
CID 24799787
3-[2-[(Dimethylamino)methyl]cyclohexen-1-yl]phenol
CID 15482067
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CID 193050
phenol, 3-(3-N,N,N-trimethylammoniopropyl)-, iodide-
CID 171384739
3-[3-(Piperidin-1-yl)propyl]phenol
CID 53662042
3-(1-Propyl-1,2,5,6-tetrahydropyridin-3-yl)-phenol
CID 3068136

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethyl]phenol?
The IUPAC name of 3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethyl]phenol (CID 102437518) is 3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethyl]phenol.
What is the SMILES notation for 3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethyl]phenol?
The canonical SMILES for 3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethyl]phenol is CN1CCCN=C1CCc1cccc(O)c1.
What is the InChIKey of 3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethyl]phenol?
The InChIKey is ZSUGXXVEDIYGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-9-3-8-14-13(15)7-6-11-4-2-5-12(16)10-11/h2,4-5,10,16H,3,6-9H2,1H3.
What are the key properties of 3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethyl]phenol?
3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethyl]phenol has a molecular weight of 218.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethyl]phenol is sourced from PubChem (CID 102437518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).