5-(4-methoxyphenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine

C19H26N2O3 — CID 901695

IUPAC5-(4-methoxyphenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCOc1ccc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)cc1
InChIInChI=1S/C19H26N2O3/c1-18(2,3)23-16-15(13-8-10-14(22-7)11-9-13)12-20-17(21-16)24-19(4,5)6/h8-12H,1-7H3
InChIKeyVHYIADNSGBIZJU-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.51
Rot. Bonds4

About 5-(4-methoxyphenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine

5-(4-methoxyphenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine (PubChem CID 901695) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
PubChem CID901695
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name5-(4-methoxyphenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine
SMILESCOc1ccc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)cc1
InChIInChI=1S/C19H26N2O3/c1-18(2,3)23-16-15(13-8-10-14(22-7)11-9-13)12-20-17(21-16)24-19(4,5)6/h8-12H,1-7H3
InChIKeyVHYIADNSGBIZJU-UHFFFAOYSA-N
XLogP4.51
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine (CID 901695) is 5-(4-methoxyphenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine is COc1ccc(-c2cnc(OC(C)(C)C)nc2OC(C)(C)C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
The InChIKey is VHYIADNSGBIZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-18(2,3)23-16-15(13-8-10-14(22-7)11-9-13)12-20-17(21-16)24-19(4,5)6/h8-12H,1-7H3.
What are the key properties of 5-(4-methoxyphenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine?
5-(4-methoxyphenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine has a molecular weight of 330.43 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidine is sourced from PubChem (CID 901695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).