2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide

C22H24N4O3 — CID 109306756

IUPAC2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nccc(C(=O)Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C22H24N4O3/c1-4-26(15-16-8-6-5-7-9-16)22-23-13-12-18(25-22)21(27)24-19-14-17(28-2)10-11-20(19)29-3/h5-14H,4,15H2,1-3H3,(H,24,27)
InChIKeyHJVFOCCMZJAIJK-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.77
Rot. Bonds8

About 2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide

2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109306756) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109306756
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCN(Cc1ccccc1)c1nccc(C(=O)Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C22H24N4O3/c1-4-26(15-16-8-6-5-7-9-16)22-23-13-12-18(25-22)21(27)24-19-14-17(28-2)10-11-20(19)29-3/h5-14H,4,15H2,1-3H3,(H,24,27)
InChIKeyHJVFOCCMZJAIJK-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[benzyl(ethyl)amino]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306437
2-[benzyl(ethyl)amino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109306729
2-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109258498
2-[benzyl(ethyl)amino]-N-(5-chloro-2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109258488
2-[benzyl(methyl)amino]-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109170343
N-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306411
4-N-benzyl-2-N-(2,5-dimethoxyphenyl)-4-N-ethylpyrimidine-2,4-diamine
CID 112892967
2-[benzyl(ethyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109306739
2-(diethylamino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109310751
N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide
CID 109312912
2-[benzyl(ethyl)amino]-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109306779
N-(2,5-dimethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304802

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide (CID 109306756) is 2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide is CCN(Cc1ccccc1)c1nccc(C(=O)Nc2cc(OC)ccc2OC)n1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is HJVFOCCMZJAIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-26(15-16-8-6-5-7-9-16)22-23-13-12-18(25-22)21(27)24-19-14-17(28-2)10-11-20(19)29-3/h5-14H,4,15H2,1-3H3,(H,24,27).
What are the key properties of 2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide?
2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109306756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).