4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide

C17H21N5O2 — CID 122319784

IUPAC4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide
SMILESCC(=O)c1ccc(C(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1
InChIInChI=1S/C17H21N5O2/c1-11(23)12-6-8-13(9-7-12)16(24)19-14-10-18-17(22(4)5)20-15(14)21(2)3/h6-10H,1-5H3,(H,19,24)
InChIKeyZORUKWQHMXJMMQ-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.06
Rot. Bonds5

About 4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide

4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide (PubChem CID 122319784) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide
PubChem CID122319784
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide
SMILESCC(=O)c1ccc(C(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1
InChIInChI=1S/C17H21N5O2/c1-11(23)12-6-8-13(9-7-12)16(24)19-14-10-18-17(22(4)5)20-15(14)21(2)3/h6-10H,1-5H3,(H,19,24)
InChIKeyZORUKWQHMXJMMQ-UHFFFAOYSA-N
XLogP2.06
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]furan-3-carboxamide
CID 122319704
4-acetyl-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
CID 122319529
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-4-pyrrol-1-ylbenzamide
CID 122319737
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]pyridine-3-carboxamide
CID 71807673
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-fluoropyridine-3-carboxamide
CID 122319790
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-6-cyclopentyloxypyridine-3-carboxamide
CID 122319775
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-5-bromopyridine-3-carboxamide
CID 122319649
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2,5-dimethylbenzamide
CID 91969285
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-ethylbutanamide
CID 122319607
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide
CID 91969256
1-[2-(dimethylamino)pyrimidin-5-yl]ethanone
CID 45086334
4-cyano-N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]benzamide
CID 122319436

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide?
The IUPAC name of 4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide (CID 122319784) is 4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide is CC(=O)c1ccc(C(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1.
What is the InChIKey of 4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide?
The InChIKey is ZORUKWQHMXJMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11(23)12-6-8-13(9-7-12)16(24)19-14-10-18-17(22(4)5)20-15(14)21(2)3/h6-10H,1-5H3,(H,19,24).
What are the key properties of 4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide?
4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide has a molecular weight of 327.39 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 122319784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).