6-(4-acetylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide

C18H23N5O2 — CID 109366285

IUPAC6-(4-acetylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2cc(C(=O)NCCN(C)C)nc(C)n2)cc1
InChIInChI=1S/C18H23N5O2/c1-12(24)14-5-7-15(8-6-14)22-17-11-16(20-13(2)21-17)18(25)19-9-10-23(3)4/h5-8,11H,9-10H2,1-4H3,(H,19,25)(H,20,21,22)
InChIKeyPWVJRQNLZRDKDP-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.02
Rot. Bonds7

About 6-(4-acetylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide

6-(4-acetylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109366285) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-(4-acetylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-acetylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109366285
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name6-(4-acetylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCC(=O)c1ccc(Nc2cc(C(=O)NCCN(C)C)nc(C)n2)cc1
InChIInChI=1S/C18H23N5O2/c1-12(24)14-5-7-15(8-6-14)22-17-11-16(20-13(2)21-17)18(25)19-9-10-23(3)4/h5-8,11H,9-10H2,1-4H3,(H,19,25)(H,20,21,22)
InChIKeyPWVJRQNLZRDKDP-UHFFFAOYSA-N
XLogP2.02
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366328
6-(4-acetylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846653
N-[2-(dimethylamino)ethyl]-2-methyl-6-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109366300
ethyl 4-[[6-[3-(dimethylamino)propylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109366834
6-(3-chloro-4-fluoroanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366264
6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366304
6-(4-acetylanilino)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109372363
6-(4-acetylanilino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850834
N-(4-acetylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112850552
methyl 2-[[6-[2-(dimethylamino)ethylcarbamoyl]-2-methylpyrimidin-4-yl]amino]benzoate
CID 109366288
N-[2-(dimethylamino)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361940
N-(4-acetylphenyl)-6-(4-cyanoanilino)-2-methylpyrimidine-4-carboxamide
CID 112850845

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-acetylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide (CID 109366285) is 6-(4-acetylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-acetylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-acetylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide is CC(=O)c1ccc(Nc2cc(C(=O)NCCN(C)C)nc(C)n2)cc1.
What is the InChIKey of 6-(4-acetylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is PWVJRQNLZRDKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-12(24)14-5-7-15(8-6-14)22-17-11-16(20-13(2)21-17)18(25)19-9-10-23(3)4/h5-8,11H,9-10H2,1-4H3,(H,19,25)(H,20,21,22).
What are the key properties of 6-(4-acetylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide?
6-(4-acetylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109366285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).