ethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate

C19H24N2O3 — CID 139241108

IUPACethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
SMILESCCCCc1nc(C)c(C(=O)OCC)c(-c2ccc(OC)cc2)n1
InChIInChI=1S/C19H24N2O3/c1-5-7-8-16-20-13(3)17(19(22)24-6-2)18(21-16)14-9-11-15(23-4)12-10-14/h9-12H,5-8H2,1-4H3
InChIKeyBFYNAJHBKKNKCB-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.98
Rot. Bonds7

About ethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate

ethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate (PubChem CID 139241108) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
PubChem CID139241108
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nameethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
SMILESCCCCc1nc(C)c(C(=O)OCC)c(-c2ccc(OC)cc2)n1
InChIInChI=1S/C19H24N2O3/c1-5-7-8-16-20-13(3)17(19(22)24-6-2)18(21-16)14-9-11-15(23-4)12-10-14/h9-12H,5-8H2,1-4H3
InChIKeyBFYNAJHBKKNKCB-UHFFFAOYSA-N
XLogP3.98
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-decyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241116
ethyl 2-(4-methoxyphenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 102584507
ethyl 2-(4-chlorophenoxy)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 122369282
ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241104
ethyl 2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylate
CID 54851650
ethyl 2-(2-fluoroanilino)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 122401117
ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
CID 54851374
6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid
CID 175431890
ethyl 2-chloro-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 163743025
ethyl 6,7-dimethoxy-4-(4-methoxyphenyl)-2-methylquinoline-3-carboxylate;N-ethylethanamine
CID 19032350
CID 154709525
CID 154709525
2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
CID 54853982

Frequently Asked Questions

What is the IUPAC name of ethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate (CID 139241108) is ethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate is CCCCc1nc(C)c(C(=O)OCC)c(-c2ccc(OC)cc2)n1.
What is the InChIKey of ethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate?
The InChIKey is BFYNAJHBKKNKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-5-7-8-16-20-13(3)17(19(22)24-6-2)18(21-16)14-9-11-15(23-4)12-10-14/h9-12H,5-8H2,1-4H3.
What are the key properties of ethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate?
ethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-butyl-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 139241108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).