(2-methoxy-6-methylpyrimidin-4-yl) 4-methoxybenzoate

C14H14N2O4 — CID 10061884

IUPAC(2-methoxy-6-methylpyrimidin-4-yl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cc(C)nc(OC)n2)cc1
InChIInChI=1S/C14H14N2O4/c1-9-8-12(16-14(15-9)19-3)20-13(17)10-4-6-11(18-2)7-5-10/h4-8H,1-3H3
InChIKeyMBARTEOHCTWWOT-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.02
Rot. Bonds4

About (2-methoxy-6-methylpyrimidin-4-yl) 4-methoxybenzoate

(2-methoxy-6-methylpyrimidin-4-yl) 4-methoxybenzoate (PubChem CID 10061884) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is (2-methoxy-6-methylpyrimidin-4-yl) 4-methoxybenzoate.

Molecular Properties

Compound Name(2-methoxy-6-methylpyrimidin-4-yl) 4-methoxybenzoate
PubChem CID10061884
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name(2-methoxy-6-methylpyrimidin-4-yl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cc(C)nc(OC)n2)cc1
InChIInChI=1S/C14H14N2O4/c1-9-8-12(16-14(15-9)19-3)20-13(17)10-4-6-11(18-2)7-5-10/h4-8H,1-3H3
InChIKeyMBARTEOHCTWWOT-UHFFFAOYSA-N
XLogP2.02
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethylphenyl) 4-methoxybenzoate
CID 4928836
[4-[2-(4-methoxyphenyl)ethyl]phenyl] 4-methoxybenzoate
CID 145141089
(4,6-dimethylpyrimidin-2-yl) benzoate
CID 835169
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
naphthalen-2-yl 4-methoxybenzoate
CID 532400
[3-chloro-4-(4-methoxybenzoyl)oxyphenyl] 4-methoxybenzoate
CID 90331687
(4-chlorophenyl) 4-methoxybenzoate
CID 532395
[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223
(6-acetylnaphthalen-2-yl) 4-methoxybenzoate
CID 59109365
(3,4-difluorophenyl) 4-methoxybenzoate
CID 159231931
(4-methoxyphenyl) 3-chloro-4-(4-methoxybenzoyl)oxybenzoate
CID 118425827
[4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate
CID 89477375

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6-methylpyrimidin-4-yl) 4-methoxybenzoate?
The IUPAC name of (2-methoxy-6-methylpyrimidin-4-yl) 4-methoxybenzoate (CID 10061884) is (2-methoxy-6-methylpyrimidin-4-yl) 4-methoxybenzoate.
What is the SMILES notation for (2-methoxy-6-methylpyrimidin-4-yl) 4-methoxybenzoate?
The canonical SMILES for (2-methoxy-6-methylpyrimidin-4-yl) 4-methoxybenzoate is COc1ccc(C(=O)Oc2cc(C)nc(OC)n2)cc1.
What is the InChIKey of (2-methoxy-6-methylpyrimidin-4-yl) 4-methoxybenzoate?
The InChIKey is MBARTEOHCTWWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-9-8-12(16-14(15-9)19-3)20-13(17)10-4-6-11(18-2)7-5-10/h4-8H,1-3H3.
What are the key properties of (2-methoxy-6-methylpyrimidin-4-yl) 4-methoxybenzoate?
(2-methoxy-6-methylpyrimidin-4-yl) 4-methoxybenzoate has a molecular weight of 274.28 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6-methylpyrimidin-4-yl) 4-methoxybenzoate is sourced from PubChem (CID 10061884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).