N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-(6-oxopyrimidin-1-yl)acetamide

C17H23N7O3 — CID 121064266

IUPACN-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-(6-oxopyrimidin-1-yl)acetamide
SMILESCN1CCN(c2cc(OCCNC(=O)Cn3cnccc3=O)ncn2)CC1
InChIInChI=1S/C17H23N7O3/c1-22-5-7-23(8-6-22)14-10-16(21-12-20-14)27-9-4-19-15(25)11-24-13-18-3-2-17(24)26/h2-3,10,12-13H,4-9,11H2,1H3,(H,19,25)
InChIKeyGNFSHAAOSJHSKD-UHFFFAOYSA-N
MW373.42 g/mol
LogP-1.02
Rot. Bonds7

About N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-(6-oxopyrimidin-1-yl)acetamide

N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-(6-oxopyrimidin-1-yl)acetamide (PubChem CID 121064266) has the molecular formula C17H23N7O3 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-(6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-(6-oxopyrimidin-1-yl)acetamide
PubChem CID121064266
Molecular FormulaC17H23N7O3
Molecular Weight373.42 g/mol
Exact Mass373.19
IUPAC NameN-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-(6-oxopyrimidin-1-yl)acetamide
SMILESCN1CCN(c2cc(OCCNC(=O)Cn3cnccc3=O)ncn2)CC1
InChIInChI=1S/C17H23N7O3/c1-22-5-7-23(8-6-22)14-10-16(21-12-20-14)27-9-4-19-15(25)11-24-13-18-3-2-17(24)26/h2-3,10,12-13H,4-9,11H2,1H3,(H,19,25)
InChIKeyGNFSHAAOSJHSKD-UHFFFAOYSA-N
XLogP-1.02
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-(6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-(6-oxopyrimidin-1-yl)acetamide (CID 121064266) is N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-(6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-(6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-(6-oxopyrimidin-1-yl)acetamide is CN1CCN(c2cc(OCCNC(=O)Cn3cnccc3=O)ncn2)CC1.
What is the InChIKey of N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-(6-oxopyrimidin-1-yl)acetamide?
The InChIKey is GNFSHAAOSJHSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O3/c1-22-5-7-23(8-6-22)14-10-16(21-12-20-14)27-9-4-19-15(25)11-24-13-18-3-2-17(24)26/h2-3,10,12-13H,4-9,11H2,1H3,(H,19,25).
What are the key properties of N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-(6-oxopyrimidin-1-yl)acetamide?
N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-(6-oxopyrimidin-1-yl)acetamide has a molecular weight of 373.42 g/mol, XLogP of -1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-2-(6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 121064266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).