N-[(2-tert-butyl-6-oxo-1H-pyrimidin-4-yl)methyl]-N'-(2,5-dimethylphenyl)oxamide

C19H24N4O3 — CID 135966419

IUPACN-[(2-tert-butyl-6-oxo-1H-pyrimidin-4-yl)methyl]-N'-(2,5-dimethylphenyl)oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NCc2cc(=O)[nH]c(C(C)(C)C)n2)c1
InChIInChI=1S/C19H24N4O3/c1-11-6-7-12(2)14(8-11)22-17(26)16(25)20-10-13-9-15(24)23-18(21-13)19(3,4)5/h6-9H,10H2,1-5H3,(H,20,25)(H,22,26)(H,21,23,24)
InChIKeyLYUIAXSXCPICLL-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.94
Rot. Bonds3

About N-[(2-tert-butyl-6-oxo-1H-pyrimidin-4-yl)methyl]-N'-(2,5-dimethylphenyl)oxamide

N-[(2-tert-butyl-6-oxo-1H-pyrimidin-4-yl)methyl]-N'-(2,5-dimethylphenyl)oxamide (PubChem CID 135966419) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(2-tert-butyl-6-oxo-1H-pyrimidin-4-yl)methyl]-N'-(2,5-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[(2-tert-butyl-6-oxo-1H-pyrimidin-4-yl)methyl]-N'-(2,5-dimethylphenyl)oxamide
PubChem CID135966419
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(2-tert-butyl-6-oxo-1H-pyrimidin-4-yl)methyl]-N'-(2,5-dimethylphenyl)oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)NCc2cc(=O)[nH]c(C(C)(C)C)n2)c1
InChIInChI=1S/C19H24N4O3/c1-11-6-7-12(2)14(8-11)22-17(26)16(25)20-10-13-9-15(24)23-18(21-13)19(3,4)5/h6-9H,10H2,1-5H3,(H,20,25)(H,22,26)(H,21,23,24)
InChIKeyLYUIAXSXCPICLL-UHFFFAOYSA-N
XLogP1.94
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 3114031
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide
CID 108519011
N'-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)oxamide
CID 3114033
N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide
CID 90499435
N'-(2,5-dimethylphenyl)-N-(4-methylphenyl)oxamide
CID 44995959
N-(2,5-dimethylphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]butanamide
CID 136685024
N-(2,5-dimethylphenyl)-2-[[6-oxo-4-(propan-2-ylsulfanylmethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 136686259
N-(2,5-dimethylphenyl)-N'-(4,5-dimethyl-1,3-thiazol-2-yl)oxamide
CID 108529959
N'-(2,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
CID 6618309
N'-(2,5-dimethylphenyl)-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]oxamide
CID 90612754
3-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]-4-methylbenzoic acid
CID 137147737
N-cyclopropyl-2-[2-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-4-yl]acetamide
CID 136617002

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-6-oxo-1H-pyrimidin-4-yl)methyl]-N'-(2,5-dimethylphenyl)oxamide?
The IUPAC name of N-[(2-tert-butyl-6-oxo-1H-pyrimidin-4-yl)methyl]-N'-(2,5-dimethylphenyl)oxamide (CID 135966419) is N-[(2-tert-butyl-6-oxo-1H-pyrimidin-4-yl)methyl]-N'-(2,5-dimethylphenyl)oxamide.
What is the SMILES notation for N-[(2-tert-butyl-6-oxo-1H-pyrimidin-4-yl)methyl]-N'-(2,5-dimethylphenyl)oxamide?
The canonical SMILES for N-[(2-tert-butyl-6-oxo-1H-pyrimidin-4-yl)methyl]-N'-(2,5-dimethylphenyl)oxamide is Cc1ccc(C)c(NC(=O)C(=O)NCc2cc(=O)[nH]c(C(C)(C)C)n2)c1.
What is the InChIKey of N-[(2-tert-butyl-6-oxo-1H-pyrimidin-4-yl)methyl]-N'-(2,5-dimethylphenyl)oxamide?
The InChIKey is LYUIAXSXCPICLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-11-6-7-12(2)14(8-11)22-17(26)16(25)20-10-13-9-15(24)23-18(21-13)19(3,4)5/h6-9H,10H2,1-5H3,(H,20,25)(H,22,26)(H,21,23,24).
What are the key properties of N-[(2-tert-butyl-6-oxo-1H-pyrimidin-4-yl)methyl]-N'-(2,5-dimethylphenyl)oxamide?
N-[(2-tert-butyl-6-oxo-1H-pyrimidin-4-yl)methyl]-N'-(2,5-dimethylphenyl)oxamide has a molecular weight of 356.43 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-6-oxo-1H-pyrimidin-4-yl)methyl]-N'-(2,5-dimethylphenyl)oxamide is sourced from PubChem (CID 135966419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).