(6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate

C18H16N2O3 — CID 146084300

IUPAC(6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate
SMILESCOc1ccc2cc(COC(=O)c3cc(C)ncn3)ccc2c1
InChIInChI=1S/C18H16N2O3/c1-12-7-17(20-11-19-12)18(21)23-10-13-3-4-15-9-16(22-2)6-5-14(15)8-13/h3-9,11H,10H2,1-2H3
InChIKeyPYZKVWHNBGOUGE-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.30
Rot. Bonds4

About (6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate

(6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate (PubChem CID 146084300) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate
PubChem CID146084300
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate
SMILESCOc1ccc2cc(COC(=O)c3cc(C)ncn3)ccc2c1
InChIInChI=1S/C18H16N2O3/c1-12-7-17(20-11-19-12)18(21)23-10-13-3-4-15-9-16(22-2)6-5-14(15)8-13/h3-9,11H,10H2,1-2H3
InChIKeyPYZKVWHNBGOUGE-UHFFFAOYSA-N
XLogP3.30
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-O-ethyl 2-O-[(6-methoxynaphthalen-2-yl)methyl] 6-methylpyridine-2,5-dicarboxylate
CID 55633038
(6-methoxynaphthalen-2-yl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55670712
(6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate
CID 32810227
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 19780510
methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
(6-methoxynaphthalen-2-yl)methyl 2-(2-oxochromen-7-yl)oxyacetate
CID 55554307
(4-methoxyphenyl)methyl 2,5-dichloropyridine-4-carboxylate
CID 114929193
3-(4-methoxyphenyl)-2-(6-methylpyrimidin-4-yl)propanoic acid
CID 104573075
(6-methoxynaphthalen-2-yl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate
CID 55554775
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
(3-methoxyphenyl)methyl 6-chloropyridazine-3-carboxylate
CID 63841488

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate?
The IUPAC name of (6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate (CID 146084300) is (6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate?
The canonical SMILES for (6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate is COc1ccc2cc(COC(=O)c3cc(C)ncn3)ccc2c1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate?
The InChIKey is PYZKVWHNBGOUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-7-17(20-11-19-12)18(21)23-10-13-3-4-15-9-16(22-2)6-5-14(15)8-13/h3-9,11H,10H2,1-2H3.
What are the key properties of (6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate?
(6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 146084300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).