2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide

C20H25N3O3 — CID 97204039

IUPAC2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)cn1
InChIInChI=1S/C20H25N3O3/c1-2-19-21-13-16(14-22-19)20(24)23(15-18-9-6-11-25-18)10-12-26-17-7-4-3-5-8-17/h3-5,7-8,13-14,18H,2,6,9-12,15H2,1H3/t18-/m0/s1
InChIKeyVECDNMTWGIQPHU-SFHVURJKSA-N
MW355.44 g/mol
LogP2.74
Rot. Bonds8

About 2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide

2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide (PubChem CID 97204039) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
PubChem CID97204039
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)cn1
InChIInChI=1S/C20H25N3O3/c1-2-19-21-13-16(14-22-19)20(24)23(15-18-9-6-11-25-18)10-12-26-17-7-4-3-5-8-17/h3-5,7-8,13-14,18H,2,6,9-12,15H2,1H3/t18-/m0/s1
InChIKeyVECDNMTWGIQPHU-SFHVURJKSA-N
XLogP2.74
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 95129192
3-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
CID 126428019
N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(trifluoromethyl)benzamide
CID 131937852
2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)benzamide
CID 131916616
3-(6-chloro-3-pyridinyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(2-phenoxyethyl)urea
CID 97444246
N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)-2-(1,2,4-triazol-1-yl)benzamide
CID 131903163
1,6-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)quinoline-3-carboxamide
CID 164631306
3-[(6-methylpyridine-3-carbonyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124698719
6-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62161209
N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95212814
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
N-ethyl-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179784

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide (CID 97204039) is 2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide is CCc1ncc(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)cn1.
What is the InChIKey of 2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide?
The InChIKey is VECDNMTWGIQPHU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-2-19-21-13-16(14-22-19)20(24)23(15-18-9-6-11-25-18)10-12-26-17-7-4-3-5-8-17/h3-5,7-8,13-14,18H,2,6,9-12,15H2,1H3/t18-/m0/s1.
What are the key properties of 2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide?
2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenoxyethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 97204039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).