N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C15H23N3O3 — CID 97138761

IUPACN-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(C)[nH]c1=O)[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C15H23N3O3/c1-5-18(11-6-7-21-15(3,4)8-11)14(20)12-9-16-10(2)17-13(12)19/h9,11H,5-8H2,1-4H3,(H,16,17,19)/t11-/m0/s1
InChIKeyFLFDNGBCCMUTSE-NSHDSACASA-N
MW293.37 g/mol
LogP1.50
Rot. Bonds3

About N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 97138761) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID97138761
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(C)[nH]c1=O)[C@H]1CCOC(C)(C)C1
InChIInChI=1S/C15H23N3O3/c1-5-18(11-6-7-21-15(3,4)8-11)14(20)12-9-16-10(2)17-13(12)19/h9,11H,5-8H2,1-4H3,(H,16,17,19)/t11-/m0/s1
InChIKeyFLFDNGBCCMUTSE-NSHDSACASA-N
XLogP1.50
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-N-ethyl-4-hydroxy-2-methylpyrimidine-5-carboxamide
CID 72901479
N-1,9-dioxaspiro[5.5]undec-4-yl-2-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 77089022
N-ethyl-2-methyl-6-oxo-N-(tetrahydro-2H-pyran-2-ylmethyl)-1,6-dihydropyrimidine-5-carboxamide
CID 90649266
N-[(4R)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 97138760
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 99937243
N-[(4S)-1,9-dioxaspiro[5.5]undecan-4-yl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 99937245
N-ethyl-2-methyl-N-[[(2S)-oxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 100044212
N-ethyl-2-methyl-N-[[(2R)-oxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 100044214

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 97138761) is N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is CCN(C(=O)c1cnc(C)[nH]c1=O)[C@H]1CCOC(C)(C)C1.
What is the InChIKey of N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is FLFDNGBCCMUTSE-NSHDSACASA-N. The full InChI is InChI=1S/C15H23N3O3/c1-5-18(11-6-7-21-15(3,4)8-11)14(20)12-9-16-10(2)17-13(12)19/h9,11H,5-8H2,1-4H3,(H,16,17,19)/t11-/m0/s1.
What are the key properties of N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97138761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).