2-amino-4-[1-(4-ethylphenoxy)ethyl]-N,N,6-trimethylpyrimidine-5-carboxamide

C18H24N4O2 — CID 54852104

IUPAC2-amino-4-[1-(4-ethylphenoxy)ethyl]-N,N,6-trimethylpyrimidine-5-carboxamide
SMILESCCc1ccc(OC(C)c2nc(N)nc(C)c2C(=O)N(C)C)cc1
InChIInChI=1S/C18H24N4O2/c1-6-13-7-9-14(10-8-13)24-12(3)16-15(17(23)22(4)5)11(2)20-18(19)21-16/h7-10,12H,6H2,1-5H3,(H2,19,20,21)
InChIKeyRURSRZOOJURBSX-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.77
Rot. Bonds5

About 2-amino-4-[1-(4-ethylphenoxy)ethyl]-N,N,6-trimethylpyrimidine-5-carboxamide

2-amino-4-[1-(4-ethylphenoxy)ethyl]-N,N,6-trimethylpyrimidine-5-carboxamide (PubChem CID 54852104) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-amino-4-[1-(4-ethylphenoxy)ethyl]-N,N,6-trimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-[1-(4-ethylphenoxy)ethyl]-N,N,6-trimethylpyrimidine-5-carboxamide
PubChem CID54852104
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-amino-4-[1-(4-ethylphenoxy)ethyl]-N,N,6-trimethylpyrimidine-5-carboxamide
SMILESCCc1ccc(OC(C)c2nc(N)nc(C)c2C(=O)N(C)C)cc1
InChIInChI=1S/C18H24N4O2/c1-6-13-7-9-14(10-8-13)24-12(3)16-15(17(23)22(4)5)11(2)20-18(19)21-16/h7-10,12H,6H2,1-5H3,(H2,19,20,21)
InChIKeyRURSRZOOJURBSX-UHFFFAOYSA-N
XLogP2.77
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide
CID 54850762
2-amino-N,N,4-trimethyl-6-(1-phenoxypropyl)pyrimidine-5-carboxamide
CID 54852291
ethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate
CID 54851451
2-amino-N,N-diethyl-4-methyl-6-[1-(4-nitrophenoxy)ethyl]pyrimidine-5-carboxamide
CID 54853639
2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851756
2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852097
2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852026
2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid
CID 54850950
2-amino-N,N,4-trimethyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54852220
2-(4-ethylphenoxy)pentan-3-one
CID 64866307
2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
CID 54851987
2-amino-4-(4-butan-2-yloxyphenyl)-6-methylpyrimidine-5-carbohydrazide
CID 54850729

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-(4-ethylphenoxy)ethyl]-N,N,6-trimethylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-[1-(4-ethylphenoxy)ethyl]-N,N,6-trimethylpyrimidine-5-carboxamide (CID 54852104) is 2-amino-4-[1-(4-ethylphenoxy)ethyl]-N,N,6-trimethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-[1-(4-ethylphenoxy)ethyl]-N,N,6-trimethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-[1-(4-ethylphenoxy)ethyl]-N,N,6-trimethylpyrimidine-5-carboxamide is CCc1ccc(OC(C)c2nc(N)nc(C)c2C(=O)N(C)C)cc1.
What is the InChIKey of 2-amino-4-[1-(4-ethylphenoxy)ethyl]-N,N,6-trimethylpyrimidine-5-carboxamide?
The InChIKey is RURSRZOOJURBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-6-13-7-9-14(10-8-13)24-12(3)16-15(17(23)22(4)5)11(2)20-18(19)21-16/h7-10,12H,6H2,1-5H3,(H2,19,20,21).
What are the key properties of 2-amino-4-[1-(4-ethylphenoxy)ethyl]-N,N,6-trimethylpyrimidine-5-carboxamide?
2-amino-4-[1-(4-ethylphenoxy)ethyl]-N,N,6-trimethylpyrimidine-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[1-(4-ethylphenoxy)ethyl]-N,N,6-trimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 54852104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).