2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide

C19H23N5O3 — CID 109303069

IUPAC2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C19H23N5O3/c1-3-27-17-7-5-4-6-15(17)21-18(26)16-8-9-20-19(22-16)24-12-10-23(11-13-24)14(2)25/h4-9H,3,10-13H2,1-2H3,(H,21,26)
InChIKeyWDJUGGSIVQMOKZ-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.80
Rot. Bonds5

About 2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide

2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109303069) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109303069
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C19H23N5O3/c1-3-27-17-7-5-4-6-15(17)21-18(26)16-8-9-20-19(22-16)24-12-10-23(11-13-24)14(2)25/h4-9H,3,10-13H2,1-2H3,(H,21,26)
InChIKeyWDJUGGSIVQMOKZ-UHFFFAOYSA-N
XLogP1.80
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299069
N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302129
2-(2,3-dihydroindol-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314411
2-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109303095
2-(4-acetylpiperazin-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109303109
N-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302496
N-(2-ethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 46631059
2-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109302140
N-(2-ethoxyphenyl)-2-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109315810
N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303992
N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302460
2-pyrrolidin-1-yl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297596

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide (CID 109303069) is 2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide is CCOc1ccccc1NC(=O)c1ccnc(N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is WDJUGGSIVQMOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-3-27-17-7-5-4-6-15(17)21-18(26)16-8-9-20-19(22-16)24-12-10-23(11-13-24)14(2)25/h4-9H,3,10-13H2,1-2H3,(H,21,26).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide?
2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).