4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol

C14H17N3O2 — CID 114332523

IUPAC4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol
SMILESCCOc1ncnc(NCc2ccc(O)cc2)c1C
InChIInChI=1S/C14H17N3O2/c1-3-19-14-10(2)13(16-9-17-14)15-8-11-4-6-12(18)7-5-11/h4-7,9,18H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyUSBBJQFUZNBVLU-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.50
Rot. Bonds5

About 4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol

4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol (PubChem CID 114332523) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol
PubChem CID114332523
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol
SMILESCCOc1ncnc(NCc2ccc(O)cc2)c1C
InChIInChI=1S/C14H17N3O2/c1-3-19-14-10(2)13(16-9-17-14)15-8-11-4-6-12(18)7-5-11/h4-7,9,18H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyUSBBJQFUZNBVLU-UHFFFAOYSA-N
XLogP2.50
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326004
6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 66325638
6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 66327283
6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 66327056
N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327604
6-ethoxy-5-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 66327674
3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 66325204
6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine
CID 66326618
6-ethoxy-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 66325604
6-ethoxy-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 82872861
6-ethoxy-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 66326862
6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66327251

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol?
The IUPAC name of 4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol (CID 114332523) is 4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol?
The canonical SMILES for 4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol is CCOc1ncnc(NCc2ccc(O)cc2)c1C.
What is the InChIKey of 4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol?
The InChIKey is USBBJQFUZNBVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-19-14-10(2)13(16-9-17-14)15-8-11-4-6-12(18)7-5-11/h4-7,9,18H,3,8H2,1-2H3,(H,15,16,17).
What are the key properties of 4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol?
4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol has a molecular weight of 259.31 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol is sourced from PubChem (CID 114332523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).