N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide

C21H30N6O — CID 109254269

IUPACN-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCCN1CCN(c2ncc(C(=O)Nc3ccc(N(CC)CC)cc3)cn2)CC1
InChIInChI=1S/C21H30N6O/c1-4-25-11-13-27(14-12-25)21-22-15-17(16-23-21)20(28)24-18-7-9-19(10-8-18)26(5-2)6-3/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,24,28)
InChIKeyTYAAMKSRAHESEH-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.72
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide

N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109254269) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID109254269
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC NameN-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCCN1CCN(c2ncc(C(=O)Nc3ccc(N(CC)CC)cc3)cn2)CC1
InChIInChI=1S/C21H30N6O/c1-4-25-11-13-27(14-12-25)21-22-15-17(16-23-21)20(28)24-18-7-9-19(10-8-18)26(5-2)6-3/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,24,28)
InChIKeyTYAAMKSRAHESEH-UHFFFAOYSA-N
XLogP2.72
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 66504102
2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109254254
N-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186876
N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326121
N-[4-(dimethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)-4-methylpyrimidine-5-carboxamide
CID 66504096
N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254526
N-(4-acetamidophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253945
N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154746
N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154737
N-[4-(diethylamino)phenyl]-6-fluoropyridine-3-carboxamide
CID 63973943
N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 19474486
N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250918

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 109254269) is N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide is CCN1CCN(c2ncc(C(=O)Nc3ccc(N(CC)CC)cc3)cn2)CC1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is TYAAMKSRAHESEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-4-25-11-13-27(14-12-25)21-22-15-17(16-23-21)20(28)24-18-7-9-19(10-8-18)26(5-2)6-3/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,24,28).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(4-ethylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109254269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).