2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

C17H21N5O3 — CID 110700131

IUPAC2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3cc(=O)[nH]c(=O)[nH]3)cc2)CC1
InChIInChI=1S/C17H21N5O3/c1-21-6-8-22(9-7-21)14-4-2-12(3-5-14)18-15(23)10-13-11-16(24)20-17(25)19-13/h2-5,11H,6-10H2,1H3,(H,18,23)(H2,19,20,24,25)
InChIKeyUQROZWHPZDVHRT-UHFFFAOYSA-N
MW343.39 g/mol
LogP-0.00
Rot. Bonds4

About 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 110700131) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID110700131
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)Cc3cc(=O)[nH]c(=O)[nH]3)cc2)CC1
InChIInChI=1S/C17H21N5O3/c1-21-6-8-22(9-7-21)14-4-2-12(3-5-14)18-15(23)10-13-11-16(24)20-17(25)19-13/h2-5,11H,6-10H2,1H3,(H,18,23)(H2,19,20,24,25)
InChIKeyUQROZWHPZDVHRT-UHFFFAOYSA-N
XLogP-0.00
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-imidazol-5-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 110684204
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110409810
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 166350115
2-hydroxy-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 83768240
2-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 2228389
2-(2,4-dichlorophenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 30857739
2-(2,5-dimethoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 78807074
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(3-oxobutyl)urea
CID 108895148
6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 110700033
N-[2-[4-(4-methylpiperazin-1-yl)anilino]-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110673460
4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]butanamide
CID 22692234

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 110700131) is 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is CN1CCN(c2ccc(NC(=O)Cc3cc(=O)[nH]c(=O)[nH]3)cc2)CC1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is UQROZWHPZDVHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-21-6-8-22(9-7-21)14-4-2-12(3-5-14)18-15(23)10-13-11-16(24)20-17(25)19-13/h2-5,11H,6-10H2,1H3,(H,18,23)(H2,19,20,24,25).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of -0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 110700131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).