2-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C19H25N3O3 — CID 137016729

IUPAC2-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)cc1
InChIInChI=1S/C19H25N3O3/c1-12-15(17(24)22-18(21-12)19(2,3)4)16(23)20-11-10-13-6-8-14(25-5)9-7-13/h6-9H,10-11H2,1-5H3,(H,20,23)(H,21,22,24)
InChIKeyFKSVRAULIZLOIC-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.36
Rot. Bonds5

About 2-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

2-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 137016729) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID137016729
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name2-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)cc1
InChIInChI=1S/C19H25N3O3/c1-12-15(17(24)22-18(21-12)19(2,3)4)16(23)20-11-10-13-6-8-14(25-5)9-7-13/h6-9H,10-11H2,1-5H3,(H,20,23)(H,21,22,24)
InChIKeyFKSVRAULIZLOIC-UHFFFAOYSA-N
XLogP2.36
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]ethyl]benzoic acid
CID 137031899
2-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136837256
N-[2-(4-methoxyphenyl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766148
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692315
methyl 5-[2-(4-methoxyphenyl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51157865
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135638515
3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one
CID 135476904
2-fluoro-6-hydroxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 104916422
N-[2-(4-methoxyphenyl)ethyl]-6-methylpyridazine-3-carboxamide
CID 110705227
N-(3-amino-2,2-difluoropropyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 137081389
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 110702529
N-[2-(4-methoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100708090

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 137016729) is 2-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is COc1ccc(CCNC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)cc1.
What is the InChIKey of 2-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is FKSVRAULIZLOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12-15(17(24)22-18(21-12)19(2,3)4)16(23)20-11-10-13-6-8-14(25-5)9-7-13/h6-9H,10-11H2,1-5H3,(H,20,23)(H,21,22,24).
What are the key properties of 2-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 137016729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).