2-tert-butyl-N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C17H23N3O3 — CID 136722493

IUPAC2-tert-butyl-N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H](C)Cc1ccco1
InChIInChI=1S/C17H23N3O3/c1-10(9-12-7-6-8-23-12)18-14(21)13-11(2)19-16(17(3,4)5)20-15(13)22/h6-8,10H,9H2,1-5H3,(H,18,21)(H,19,20,22)/t10-/m0/s1
InChIKeyJVKOQBASXUCWEA-JTQLQIEISA-N
MW317.39 g/mol
LogP2.33
Rot. Bonds4

About 2-tert-butyl-N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide

2-tert-butyl-N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 136722493) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-tert-butyl-N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID136722493
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-tert-butyl-N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H](C)Cc1ccco1
InChIInChI=1S/C17H23N3O3/c1-10(9-12-7-6-8-23-12)18-14(21)13-11(2)19-16(17(3,4)5)20-15(13)22/h6-8,10H,9H2,1-5H3,(H,18,21)(H,19,20,22)/t10-/m0/s1
InChIKeyJVKOQBASXUCWEA-JTQLQIEISA-N
XLogP2.33
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136722524
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CID 136722495
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 94022833
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2-chloro-N-[1-(furan-2-yl)propan-2-yl]-6-methylpyridine-4-carboxamide
CID 113378355
N'-tert-butyl-N-[1-(furan-2-yl)propan-2-yl]oxamide
CID 121084172
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 4253008
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61470814
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CID 47168762
N-[1-(furan-2-yl)propan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 136722493) is 2-tert-butyl-N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H](C)Cc1ccco1.
What is the InChIKey of 2-tert-butyl-N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is JVKOQBASXUCWEA-JTQLQIEISA-N. The full InChI is InChI=1S/C17H23N3O3/c1-10(9-12-7-6-8-23-12)18-14(21)13-11(2)19-16(17(3,4)5)20-15(13)22/h6-8,10H,9H2,1-5H3,(H,18,21)(H,19,20,22)/t10-/m0/s1.
What are the key properties of 2-tert-butyl-N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-tert-butyl-N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136722493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).