4-(4-ethylpiperazin-1-yl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide

C21H29N5O3 — CID 42671014

IUPAC4-(4-ethylpiperazin-1-yl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCCN1CCN(c2nc(-c3ccc(OC)cc3)ncc2C(=O)NCCOC)CC1
InChIInChI=1S/C21H29N5O3/c1-4-25-10-12-26(13-11-25)20-18(21(27)22-9-14-28-2)15-23-19(24-20)16-5-7-17(29-3)8-6-16/h5-8,15H,4,9-14H2,1-3H3,(H,22,27)
InChIKeyUTIFJCIHVKGLLK-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.67
Rot. Bonds8

About 4-(4-ethylpiperazin-1-yl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide

4-(4-ethylpiperazin-1-yl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 42671014) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide
PubChem CID42671014
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name4-(4-ethylpiperazin-1-yl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCCN1CCN(c2nc(-c3ccc(OC)cc3)ncc2C(=O)NCCOC)CC1
InChIInChI=1S/C21H29N5O3/c1-4-25-10-12-26(13-11-25)20-18(21(27)22-9-14-28-2)15-23-19(24-20)16-5-7-17(29-3)8-6-16/h5-8,15H,4,9-14H2,1-3H3,(H,22,27)
InChIKeyUTIFJCIHVKGLLK-UHFFFAOYSA-N
XLogP1.67
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 42670340
4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 42882409
N-tert-butyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 46111457
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 46111456
2-(4-ethylpiperazin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide
CID 66505238
2-(4-ethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214932
ethyl 2-(4-methoxyphenyl)-4-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine-5-carboxylate
CID 108773563
4-(4-benzylpiperidin-1-yl)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 42671032
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-4-phenoxypyrimidine-5-carboxamide
CID 42670493
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 55744365
2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-4-piperidin-1-ylpyrimidine-5-carboxamide
CID 42673835
2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 82169279

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide (CID 42671014) is 4-(4-ethylpiperazin-1-yl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide is CCN1CCN(c2nc(-c3ccc(OC)cc3)ncc2C(=O)NCCOC)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is UTIFJCIHVKGLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-4-25-10-12-26(13-11-25)20-18(21(27)22-9-14-28-2)15-23-19(24-20)16-5-7-17(29-3)8-6-16/h5-8,15H,4,9-14H2,1-3H3,(H,22,27).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide?
4-(4-ethylpiperazin-1-yl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 42671014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).