4-ethynyl-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine

C15H14N2O2 — CID 122539028

IUPAC4-ethynyl-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine
SMILESC#Cc1cc(OCc2ccc(OC)cc2)nc(C)n1
InChIInChI=1S/C15H14N2O2/c1-4-13-9-15(17-11(2)16-13)19-10-12-5-7-14(18-3)8-6-12/h1,5-9H,10H2,2-3H3
InChIKeyFDNJXCPJASNUMI-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.35
Rot. Bonds4

About 4-ethynyl-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine

4-ethynyl-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine (PubChem CID 122539028) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-ethynyl-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine.

Molecular Properties

Compound Name4-ethynyl-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine
PubChem CID122539028
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-ethynyl-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine
SMILESC#Cc1cc(OCc2ccc(OC)cc2)nc(C)n1
InChIInChI=1S/C15H14N2O2/c1-4-13-9-15(17-11(2)16-13)19-10-12-5-7-14(18-3)8-6-12/h1,5-9H,10H2,2-3H3
InChIKeyFDNJXCPJASNUMI-UHFFFAOYSA-N
XLogP2.35
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine?
The IUPAC name of 4-ethynyl-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine (CID 122539028) is 4-ethynyl-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine.
What is the SMILES notation for 4-ethynyl-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine?
The canonical SMILES for 4-ethynyl-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine is C#Cc1cc(OCc2ccc(OC)cc2)nc(C)n1.
What is the InChIKey of 4-ethynyl-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine?
The InChIKey is FDNJXCPJASNUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-4-13-9-15(17-11(2)16-13)19-10-12-5-7-14(18-3)8-6-12/h1,5-9H,10H2,2-3H3.
What are the key properties of 4-ethynyl-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine?
4-ethynyl-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine has a molecular weight of 254.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-6-[(4-methoxyphenyl)methoxy]-2-methylpyrimidine is sourced from PubChem (CID 122539028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).