N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide

C22H24N4O3 — CID 109349532

IUPACN-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(Nc2cc(OC)ccc2OC)ncn1
InChIInChI=1S/C22H24N4O3/c1-4-26(14-16-8-6-5-7-9-16)22(27)19-13-21(24-15-23-19)25-18-12-17(28-2)10-11-20(18)29-3/h5-13,15H,4,14H2,1-3H3,(H,23,24,25)
InChIKeyPARNGGPQUSAYMQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.90
Rot. Bonds8

About N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide

N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide (PubChem CID 109349532) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide
PubChem CID109349532
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(Nc2cc(OC)ccc2OC)ncn1
InChIInChI=1S/C22H24N4O3/c1-4-26(14-16-8-6-5-7-9-16)22(27)19-13-21(24-15-23-19)25-18-12-17(28-2)10-11-20(18)29-3/h5-13,15H,4,14H2,1-3H3,(H,23,24,25)
InChIKeyPARNGGPQUSAYMQ-UHFFFAOYSA-N
XLogP3.90
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258397
N-benzyl-6-(2-methoxy-5-methylanilino)-N-methylpyrimidine-4-carboxamide
CID 109347963
N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide
CID 109171538
N-benzyl-6-(3,4-dimethylanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349509
N-benzyl-6-(4-chloroanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349520
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide
CID 109120619
N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide
CID 109170260
N-benzyl-N-ethyl-6-(3-fluoroanilino)pyrimidine-4-carboxamide
CID 109349543
6-(2,5-dimethoxyanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124457
N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide
CID 109340603
6-(2,5-dimethoxyanilino)-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340512
6-(2,5-dimethoxyanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357381

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide (CID 109349532) is N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(Nc2cc(OC)ccc2OC)ncn1.
What is the InChIKey of N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide?
The InChIKey is PARNGGPQUSAYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-26(14-16-8-6-5-7-9-16)22(27)19-13-21(24-15-23-19)25-18-12-17(28-2)10-11-20(18)29-3/h5-13,15H,4,14H2,1-3H3,(H,23,24,25).
What are the key properties of N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide?
N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide is sourced from PubChem (CID 109349532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).