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

C22H24N4O3 — CID 109258397

IUPACN-benzyl-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(Nc2cc(OC)ccc2OC)nc1
InChIInChI=1S/C22H24N4O3/c1-4-26(15-16-8-6-5-7-9-16)21(27)17-13-23-22(24-14-17)25-19-12-18(28-2)10-11-20(19)29-3/h5-14H,4,15H2,1-3H3,(H,23,24,25)
InChIKeySJDBCFAGSYOANM-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.90
Rot. Bonds8

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

N-benzyl-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide (PubChem CID 109258397) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-benzyl-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide
PubChem CID109258397
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-benzyl-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(Nc2cc(OC)ccc2OC)nc1
InChIInChI=1S/C22H24N4O3/c1-4-26(15-16-8-6-5-7-9-16)21(27)17-13-23-22(24-14-17)25-19-12-18(28-2)10-11-20(19)29-3/h5-14H,4,15H2,1-3H3,(H,23,24,25)
InChIKeySJDBCFAGSYOANM-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-(3,4-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258399
N-benzyl-6-(2,5-dimethoxyanilino)-N-ethylpyrimidine-4-carboxamide
CID 109349532
N-benzyl-2-(2,4-dimethoxyanilino)-N-ethylpyridine-4-carboxamide
CID 109171538
N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258364
N-benzyl-2-(3-chloro-2-methylanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258381
N-benzyl-2-(2,6-diethylanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258372
N-benzyl-N-ethyl-2,4,6-trimethoxybenzamide
CID 110764638
N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109262395
N-[(2-chlorophenyl)methyl]-2-(2,5-dimethoxyanilino)pyrimidine-5-carboxamide
CID 109257453
N-benzyl-2-(2,5-dimethoxyanilino)-N-methylpyridine-4-carboxamide
CID 109170260
4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112892967
2-(2-methoxy-5-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260370

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide (CID 109258397) is N-benzyl-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide is CCN(Cc1ccccc1)C(=O)c1cnc(Nc2cc(OC)ccc2OC)nc1.
What is the InChIKey of N-benzyl-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide?
The InChIKey is SJDBCFAGSYOANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-26(15-16-8-6-5-7-9-16)21(27)17-13-23-22(24-14-17)25-19-12-18(28-2)10-11-20(19)29-3/h5-14H,4,15H2,1-3H3,(H,23,24,25).
What are the key properties of N-benzyl-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide?
N-benzyl-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-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-2-(2,5-dimethoxyanilino)-N-ethylpyrimidine-5-carboxamide is sourced from PubChem (CID 109258397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).