6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine

C13H14ClN3O — CID 80941277

IUPAC6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H14ClN3O/c1-2-12-16-11(15)7-13(17-12)18-8-9-3-5-10(14)6-4-9/h3-7H,2,8H2,1H3,(H2,15,16,17)
InChIKeyCHSFCJULYXXVLA-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.85
Rot. Bonds4

About 6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine

6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine (PubChem CID 80941277) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine
PubChem CID80941277
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(OCc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H14ClN3O/c1-2-12-16-11(15)7-13(17-12)18-8-9-3-5-10(14)6-4-9/h3-7H,2,8H2,1H3,(H2,15,16,17)
InChIKeyCHSFCJULYXXVLA-UHFFFAOYSA-N
XLogP2.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine (CID 80941277) is 6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine is CCc1nc(N)cc(OCc2ccc(Cl)cc2)n1.
What is the InChIKey of 6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine?
The InChIKey is CHSFCJULYXXVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-2-12-16-11(15)7-13(17-12)18-8-9-3-5-10(14)6-4-9/h3-7H,2,8H2,1H3,(H2,15,16,17).
What are the key properties of 6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine?
6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methoxy]-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 80941277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).