N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide

C16H19N3O2 — CID 121018154

IUPACN-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)N(CC)Cc2ccccc2)ncn1
InChIInChI=1S/C16H19N3O2/c1-3-19(11-13-8-6-5-7-9-13)16(20)14-10-15(21-4-2)18-12-17-14/h5-10,12H,3-4,11H2,1-2H3
InChIKeyMHLYAXASMXDWSL-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.54
Rot. Bonds6

About N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide

N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide (PubChem CID 121018154) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide
PubChem CID121018154
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)N(CC)Cc2ccccc2)ncn1
InChIInChI=1S/C16H19N3O2/c1-3-19(11-13-8-6-5-7-9-13)16(20)14-10-15(21-4-2)18-12-17-14/h5-10,12H,3-4,11H2,1-2H3
InChIKeyMHLYAXASMXDWSL-UHFFFAOYSA-N
XLogP2.54
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 121167614
N-benzyl-N-ethyl-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109349515
N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide
CID 109340603
N-benzyl-6-(4-chloroanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349520
N-benzyl-N-ethyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109346785
N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349509
N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349532
N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109349543
N-benzyl-N-ethyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109349548
N-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide
CID 109349485
N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide
CID 109190758
N-benzyl-N-ethyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203831

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide (CID 121018154) is N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide is CCOc1cc(C(=O)N(CC)Cc2ccccc2)ncn1.
What is the InChIKey of N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide?
The InChIKey is MHLYAXASMXDWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-19(11-13-8-6-5-7-9-13)16(20)14-10-15(21-4-2)18-12-17-14/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide?
N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-ethoxy-N-ethylpyrimidine-4-carboxamide is sourced from PubChem (CID 121018154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).