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

C17H27N3O3 — CID 136778281

IUPAC2-tert-butyl-N-ethyl-4-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide
SMILESCCN(C[C@H]1CCCO1)C(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O
InChIInChI=1S/C17H27N3O3/c1-6-20(10-12-8-7-9-23-12)15(22)13-11(2)18-16(17(3,4)5)19-14(13)21/h12H,6-10H2,1-5H3,(H,18,19,21)/t12-/m1/s1
InChIKeyXKKUZEXCLRMEKZ-GFCCVEGCSA-N
MW321.42 g/mol
LogP2.02
Rot. Bonds4

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

2-tert-butyl-N-ethyl-4-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide (PubChem CID 136778281) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-tert-butyl-N-ethyl-4-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-ethyl-4-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide
PubChem CID136778281
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name2-tert-butyl-N-ethyl-4-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide
SMILESCCN(C[C@H]1CCCO1)C(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O
InChIInChI=1S/C17H27N3O3/c1-6-20(10-12-8-7-9-23-12)15(22)13-11(2)18-16(17(3,4)5)19-14(13)21/h12H,6-10H2,1-5H3,(H,18,19,21)/t12-/m1/s1
InChIKeyXKKUZEXCLRMEKZ-GFCCVEGCSA-N
XLogP2.02
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-ethyl-2,4,5-trimethyl-N-(oxolan-2-ylmethyl)furan-3-carboxamide
CID 75418090
N-[2-(dimethylamino)ethyl]-4,6-dimethyl-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 97127632
6-cyclopropyl-N-ethyl-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 94822825
2-methyl-6-oxo-N-(oxolan-2-ylmethyl)-N-propyl-1H-pyridine-4-carboxamide
CID 86285769
2-methyl-6-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-1H-pyridine-4-carboxamide
CID 99977630
N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 94489794
5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 63118374
2,4-dimethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 136911219
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
N-ethyl-2-(ethylamino)-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 62835569
3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 64677009
N-ethyl-2-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62846746

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-ethyl-4-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-ethyl-4-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide (CID 136778281) is 2-tert-butyl-N-ethyl-4-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-ethyl-4-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-ethyl-4-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide is CCN(C[C@H]1CCCO1)C(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O.
What is the InChIKey of 2-tert-butyl-N-ethyl-4-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is XKKUZEXCLRMEKZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-6-20(10-12-8-7-9-23-12)15(22)13-11(2)18-16(17(3,4)5)19-14(13)21/h12H,6-10H2,1-5H3,(H,18,19,21)/t12-/m1/s1.
What are the key properties of 2-tert-butyl-N-ethyl-4-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide?
2-tert-butyl-N-ethyl-4-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-ethyl-4-methyl-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 136778281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).