4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide

C26H31N5O — CID 42882409

IUPAC4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide
SMILESCCN1CCN(c2nc(-c3ccccc3)ncc2C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C26H31N5O/c1-2-30-16-18-31(19-17-30)25-23(20-28-24(29-25)22-13-7-4-8-14-22)26(32)27-15-9-12-21-10-5-3-6-11-21/h3-8,10-11,13-14,20H,2,9,12,15-19H2,1H3,(H,27,32)
InChIKeyHMTBWIWAORPEEH-UHFFFAOYSA-N
MW429.57 g/mol
LogP3.65
Rot. Bonds8

About 4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide

4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide (PubChem CID 42882409) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide
PubChem CID42882409
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide
SMILESCCN1CCN(c2nc(-c3ccccc3)ncc2C(=O)NCCCc2ccccc2)CC1
InChIInChI=1S/C26H31N5O/c1-2-30-16-18-31(19-17-30)25-23(20-28-24(29-25)22-13-7-4-8-14-22)26(32)27-15-9-12-21-10-5-3-6-11-21/h3-8,10-11,13-14,20H,2,9,12,15-19H2,1H3,(H,27,32)
InChIKeyHMTBWIWAORPEEH-UHFFFAOYSA-N
XLogP3.65
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
4-(4-ethylpiperazin-1-yl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 42671014
N-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethylpiperazin-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 42673393
4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109084444
2-phenyl-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 42669942
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 42822200
4-(4-benzylpiperidin-1-yl)-2-phenylpyrimidine-5-carboxylic acid
CID 42670559
4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide
CID 83567065
2-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrimidine-5-carboxylic acid
CID 82169279
2-(3-methylphenyl)-4-piperidin-1-yl-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide
CID 42670750
N-cyclopropyl-2-phenyl-4-thiomorpholin-4-ylpyrimidine-5-carboxamide
CID 83289853

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide (CID 42882409) is 4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide is CCN1CCN(c2nc(-c3ccccc3)ncc2C(=O)NCCCc2ccccc2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
The InChIKey is HMTBWIWAORPEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-2-30-16-18-31(19-17-30)25-23(20-28-24(29-25)22-13-7-4-8-14-22)26(32)27-15-9-12-21-10-5-3-6-11-21/h3-8,10-11,13-14,20H,2,9,12,15-19H2,1H3,(H,27,32).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide?
4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide has a molecular weight of 429.57 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-2-phenyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 42882409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).