2-[(4-tert-butylphenyl)methoxy]-4-methoxypyrimidine

C16H20N2O2 — CID 167427720

IUPAC2-[(4-tert-butylphenyl)methoxy]-4-methoxypyrimidine
SMILESCOc1ccnc(OCc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C16H20N2O2/c1-16(2,3)13-7-5-12(6-8-13)11-20-15-17-10-9-14(18-15)19-4/h5-10H,11H2,1-4H3
InChIKeyILQYMSPQWNATBS-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.36
Rot. Bonds4

About 2-[(4-tert-butylphenyl)methoxy]-4-methoxypyrimidine

2-[(4-tert-butylphenyl)methoxy]-4-methoxypyrimidine (PubChem CID 167427720) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methoxy]-4-methoxypyrimidine.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methoxy]-4-methoxypyrimidine
PubChem CID167427720
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[(4-tert-butylphenyl)methoxy]-4-methoxypyrimidine
SMILESCOc1ccnc(OCc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C16H20N2O2/c1-16(2,3)13-7-5-12(6-8-13)11-20-15-17-10-9-14(18-15)19-4/h5-10H,11H2,1-4H3
InChIKeyILQYMSPQWNATBS-UHFFFAOYSA-N
XLogP3.36
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methoxy]-4-methoxypyrimidine?
The IUPAC name of 2-[(4-tert-butylphenyl)methoxy]-4-methoxypyrimidine (CID 167427720) is 2-[(4-tert-butylphenyl)methoxy]-4-methoxypyrimidine.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methoxy]-4-methoxypyrimidine?
The canonical SMILES for 2-[(4-tert-butylphenyl)methoxy]-4-methoxypyrimidine is COc1ccnc(OCc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methoxy]-4-methoxypyrimidine?
The InChIKey is ILQYMSPQWNATBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2,3)13-7-5-12(6-8-13)11-20-15-17-10-9-14(18-15)19-4/h5-10H,11H2,1-4H3.
What are the key properties of 2-[(4-tert-butylphenyl)methoxy]-4-methoxypyrimidine?
2-[(4-tert-butylphenyl)methoxy]-4-methoxypyrimidine has a molecular weight of 272.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methoxy]-4-methoxypyrimidine is sourced from PubChem (CID 167427720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).