4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol

C14H17N3O2 — CID 66330560

IUPAC4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
SMILESCCOc1cc(NCCc2ccc(O)cc2)ncn1
InChIInChI=1S/C14H17N3O2/c1-2-19-14-9-13(16-10-17-14)15-8-7-11-3-5-12(18)6-4-11/h3-6,9-10,18H,2,7-8H2,1H3,(H,15,16,17)
InChIKeyWHKQJNDKKFDFLS-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.24
Rot. Bonds6

About 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol

4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol (PubChem CID 66330560) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
PubChem CID66330560
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
SMILESCCOc1cc(NCCc2ccc(O)cc2)ncn1
InChIInChI=1S/C14H17N3O2/c1-2-19-14-9-13(16-10-17-14)15-8-7-11-3-5-12(18)6-4-11/h3-6,9-10,18H,2,7-8H2,1H3,(H,15,16,17)
InChIKeyWHKQJNDKKFDFLS-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66326603
6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 66324894
4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797368
6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine
CID 66328382
4-[[(6-propoxypyrimidin-4-yl)amino]methyl]phenol
CID 114332543
N-[2-(4-chlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327633
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]benzoic acid
CID 66319401
4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol
CID 117084853
6-(2-methoxyethoxy)-N-(2-phenylethyl)pyrimidin-4-amine
CID 82453669
4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 154745147
6-ethoxy-N-[2-(furan-2-yl)ethyl]pyrimidin-4-amine
CID 66328978
N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66331408

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol?
The IUPAC name of 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol (CID 66330560) is 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol?
The canonical SMILES for 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol is CCOc1cc(NCCc2ccc(O)cc2)ncn1.
What is the InChIKey of 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol?
The InChIKey is WHKQJNDKKFDFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-19-14-9-13(16-10-17-14)15-8-7-11-3-5-12(18)6-4-11/h3-6,9-10,18H,2,7-8H2,1H3,(H,15,16,17).
What are the key properties of 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol?
4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol has a molecular weight of 259.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol is sourced from PubChem (CID 66330560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).