ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate

C18H23N3O3 — CID 54851374

IUPACethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N)nc1-c1ccc(OCC(C)C)cc1
InChIInChI=1S/C18H23N3O3/c1-5-23-17(22)15-12(4)20-18(19)21-16(15)13-6-8-14(9-7-13)24-10-11(2)3/h6-9,11H,5,10H2,1-4H3,(H2,19,20,21)
InChIKeyADBQJLOVCUGQGL-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.25
Rot. Bonds6

About ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate

ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate (PubChem CID 54851374) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
PubChem CID54851374
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Nameethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(N)nc1-c1ccc(OCC(C)C)cc1
InChIInChI=1S/C18H23N3O3/c1-5-23-17(22)15-12(4)20-18(19)21-16(15)13-6-8-14(9-7-13)24-10-11(2)3/h6-9,11H,5,10H2,1-4H3,(H2,19,20,21)
InChIKeyADBQJLOVCUGQGL-UHFFFAOYSA-N
XLogP3.25
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851412
ethyl 2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylate
CID 54851650
ethyl 2-amino-4-methyl-6-[2-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate
CID 54851288
2-amino-4-methyl-6-[4-(3-methylbutoxy)phenyl]pyrimidine-5-carbohydrazide
CID 54851549
ethyl 5-[4-(2-methylpropoxy)phenyl]-2H-triazole-4-carboxylate
CID 169399278
2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850497
2-amino-N,4-dimethyl-6-(4-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853581
2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide
CID 54850729
ethyl 2-(4-chlorophenoxy)-4-(4-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 122369282
ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851405
ethyl 2-(4-methoxyphenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 102584507
diethyl 2-(4-chlorophenyl)-4,6-dimethylpyridine-3,5-dicarboxylate
CID 122366670

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate (CID 54851374) is ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(N)nc1-c1ccc(OCC(C)C)cc1.
What is the InChIKey of ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate?
The InChIKey is ADBQJLOVCUGQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-5-23-17(22)15-12(4)20-18(19)21-16(15)13-6-8-14(9-7-13)24-10-11(2)3/h6-9,11H,5,10H2,1-4H3,(H2,19,20,21).
What are the key properties of ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate?
ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-methyl-6-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylate is sourced from PubChem (CID 54851374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).