N-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide

C19H22N6O3 — CID 109326521

IUPACN-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(C)cc(C(=O)N3CCN(C=O)CC3)n2)cc1
InChIInChI=1S/C19H22N6O3/c1-13-11-17(18(28)25-9-7-24(12-26)8-10-25)23-19(20-13)22-16-5-3-15(4-6-16)21-14(2)27/h3-6,11-12H,7-10H2,1-2H3,(H,21,27)(H,20,22,23)
InChIKeyRHVOGPAZGGEVKU-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.40
Rot. Bonds5

About N-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide

N-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 109326521) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID109326521
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC NameN-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(C)cc(C(=O)N3CCN(C=O)CC3)n2)cc1
InChIInChI=1S/C19H22N6O3/c1-13-11-17(18(28)25-9-7-24(12-26)8-10-25)23-19(20-13)22-16-5-3-15(4-6-16)21-14(2)27/h3-6,11-12H,7-10H2,1-2H3,(H,21,27)(H,20,22,23)
InChIKeyRHVOGPAZGGEVKU-UHFFFAOYSA-N
XLogP1.40
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 109326748
4-[6-methyl-2-(3-methylanilino)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109326469
1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 109326746
4-[2-(2,5-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109326475
4-[2-(2,3-dimethylanilino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109326479
[2-(4-bromoanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325954
[2-[4-(diethylamino)anilino]-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321867
4-[2-(butan-2-ylamino)-6-methylpyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109321194
(2-anilino-6-methylpyrimidin-4-yl)-(4-ethylpiperazin-1-yl)methanone
CID 109326196
[2-[4-(dimethylamino)anilino]-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321866
azepan-1-yl-[2-(3,4-dichloroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334507
methyl 2-(4-acetamidoanilino)-6-methylpyrimidine-4-carboxylate
CID 71689112

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide (CID 109326521) is N-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(C)cc(C(=O)N3CCN(C=O)CC3)n2)cc1.
What is the InChIKey of N-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is RHVOGPAZGGEVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-13-11-17(18(28)25-9-7-24(12-26)8-10-25)23-19(20-13)22-16-5-3-15(4-6-16)21-14(2)27/h3-6,11-12H,7-10H2,1-2H3,(H,21,27)(H,20,22,23).
What are the key properties of N-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide?
N-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(4-formylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 109326521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).