N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide

C15H19N7O2 — CID 91967980

IUPACN-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide
SMILESCN1CCN(c2ncc(NC(=O)COc3ncccn3)cn2)CC1
InChIInChI=1S/C15H19N7O2/c1-21-5-7-22(8-6-21)14-18-9-12(10-19-14)20-13(23)11-24-15-16-3-2-4-17-15/h2-4,9-10H,5-8,11H2,1H3,(H,20,23)
InChIKeyHBLAQVUXGJYBIG-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.04
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide

N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide (PubChem CID 91967980) has the molecular formula C15H19N7O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide
PubChem CID91967980
Molecular FormulaC15H19N7O2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC NameN-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide
SMILESCN1CCN(c2ncc(NC(=O)COc3ncccn3)cn2)CC1
InChIInChI=1S/C15H19N7O2/c1-21-5-7-22(8-6-21)14-18-9-12(10-19-14)20-13(23)11-24-15-16-3-2-4-17-15/h2-4,9-10H,5-8,11H2,1H3,(H,20,23)
InChIKeyHBLAQVUXGJYBIG-UHFFFAOYSA-N
XLogP0.04
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 91967926
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122299107
N-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide
CID 121112734
2-(4-fluorophenoxy)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122300013
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
2-(2-fluorophenoxy)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298205
2-(4-methoxy-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122299176
3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 71790006
2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967927
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrazol-1-ylpropanamide
CID 122299220
2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164713
2,4-dimethyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967930

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide (CID 91967980) is N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide is CN1CCN(c2ncc(NC(=O)COc3ncccn3)cn2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide?
The InChIKey is HBLAQVUXGJYBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O2/c1-21-5-7-22(8-6-21)14-18-9-12(10-19-14)20-13(23)11-24-15-16-3-2-4-17-15/h2-4,9-10H,5-8,11H2,1H3,(H,20,23).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide?
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide has a molecular weight of 329.36 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide is sourced from PubChem (CID 91967980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).