2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide

C19H25N3O4 — CID 54735092

IUPAC2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1nc(C(C)(C)C)n(C)c(=O)c1O
InChIInChI=1S/C19H25N3O4/c1-6-26-13-10-8-7-9-12(13)11-20-16(24)14-15(23)17(25)22(5)18(21-14)19(2,3)4/h7-10,23H,6,11H2,1-5H3,(H,20,24)
InChIKeyDMTQWFCGBWIWPC-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.11
Rot. Bonds5

About 2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide

2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide (PubChem CID 54735092) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
PubChem CID54735092
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1nc(C(C)(C)C)n(C)c(=O)c1O
InChIInChI=1S/C19H25N3O4/c1-6-26-13-10-8-7-9-12(13)11-20-16(24)14-15(23)17(25)22(5)18(21-14)19(2,3)4/h7-10,23H,6,11H2,1-5H3,(H,20,24)
InChIKeyDMTQWFCGBWIWPC-UHFFFAOYSA-N
XLogP2.11
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide (CID 54735092) is 2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide is CCOc1ccccc1CNC(=O)c1nc(C(C)(C)C)n(C)c(=O)c1O.
What is the InChIKey of 2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
The InChIKey is DMTQWFCGBWIWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-6-26-13-10-8-7-9-12(13)11-20-16(24)14-15(23)17(25)22(5)18(21-14)19(2,3)4/h7-10,23H,6,11H2,1-5H3,(H,20,24).
What are the key properties of 2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide?
2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 54735092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).