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

C17H23N3O4 — CID 136722524

IUPAC2-tert-butyl-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC[C@@](C)(O)c1ccco1
InChIInChI=1S/C17H23N3O4/c1-10-12(14(22)20-15(19-10)16(2,3)4)13(21)18-9-17(5,23)11-7-6-8-24-11/h6-8,23H,9H2,1-5H3,(H,18,21)(H,19,20,22)/t17-/m1/s1
InChIKeyNAULMCTXMLHHAA-QGZVFWFLSA-N
MW333.39 g/mol
LogP1.61
Rot. Bonds4

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

2-tert-butyl-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 136722524) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-tert-butyl-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID136722524
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name2-tert-butyl-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC[C@@](C)(O)c1ccco1
InChIInChI=1S/C17H23N3O4/c1-10-12(14(22)20-15(19-10)16(2,3)4)13(21)18-9-17(5,23)11-7-6-8-24-11/h6-8,23H,9H2,1-5H3,(H,18,21)(H,19,20,22)/t17-/m1/s1
InChIKeyNAULMCTXMLHHAA-QGZVFWFLSA-N
XLogP1.61
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

2,6-dichloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71975267
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-methyl-1H-indole-3-carboxamide
CID 111912254
2-tert-butyl-N-[(2S)-1-(furan-2-yl)propan-2-yl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136722493
N-(3-amino-2,2-difluoropropyl)-2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide;hydrochloride
CID 137081389
2-tert-butyl-N-[[2-(hydroxymethyl)phenyl]methyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136926812
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111505138
N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
2-bromo-N-[2-(furan-2-yl)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 109477092
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111482538
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 71782549
N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide
CID 121085807
N-[2-(furan-2-yl)-2-hydroxypropyl]naphthalene-1-carboxamide
CID 71782562

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 136722524) is 2-tert-butyl-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NC[C@@](C)(O)c1ccco1.
What is the InChIKey of 2-tert-butyl-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is NAULMCTXMLHHAA-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-10-12(14(22)20-15(19-10)16(2,3)4)13(21)18-9-17(5,23)11-7-6-8-24-11/h6-8,23H,9H2,1-5H3,(H,18,21)(H,19,20,22)/t17-/m1/s1.
What are the key properties of 2-tert-butyl-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-tert-butyl-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136722524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).