N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide

C12H19N5O3 — CID 17221318

IUPACN-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide
SMILESCOc1cc(OC)nc(NC(=O)CN2CCNCC2)n1
InChIInChI=1S/C12H19N5O3/c1-19-10-7-11(20-2)16-12(15-10)14-9(18)8-17-5-3-13-4-6-17/h7,13H,3-6,8H2,1-2H3,(H,14,15,16,18)
InChIKeyKJAQOGKHBNFPDW-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.66
Rot. Bonds5

About N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide

N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide (PubChem CID 17221318) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide
PubChem CID17221318
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC NameN-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide
SMILESCOc1cc(OC)nc(NC(=O)CN2CCNCC2)n1
InChIInChI=1S/C12H19N5O3/c1-19-10-7-11(20-2)16-12(15-10)14-9(18)8-17-5-3-13-4-6-17/h7,13H,3-6,8H2,1-2H3,(H,14,15,16,18)
InChIKeyKJAQOGKHBNFPDW-UHFFFAOYSA-N
XLogP-0.66
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4,6-Dimethoxy-2-pyrimidinyl urea
CID 9837373
N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 934943
N-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanamide
CID 718572
N-(4,6-dimethoxypyrimidin-2-yl)propanamide
CID 942474
4,6-Dimethoxy-2-piperidin-1-ylpyrimidine
CID 90342172
4,6-Dimethoxy-2-(piperazin-1-ylmethyl)pyrimidine
CID 2736218
4-Methoxy-6-(piperazin-1-yl)pyrimidine
CID 45789017
4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethylpiperazine-1-sulfonamide
CID 25269752
4-(4,6-dimethoxypyrimidin-2-yl)-N,N-dimethyl-3,5-dioxopiperazine-1-sulfonamide
CID 25269754
4-(dimethylamino)-N-ethyl-6-methoxypyrimidine-2-carboxamide
CID 122180009
4-Methoxy-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25129178
2,4-Dimethoxy-6-(piperazin-1-yl)pyrimidine
CID 18423149

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide (CID 17221318) is N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide is COc1cc(OC)nc(NC(=O)CN2CCNCC2)n1.
What is the InChIKey of N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide?
The InChIKey is KJAQOGKHBNFPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-19-10-7-11(20-2)16-12(15-10)14-9(18)8-17-5-3-13-4-6-17/h7,13H,3-6,8H2,1-2H3,(H,14,15,16,18).
What are the key properties of N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide?
N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide has a molecular weight of 281.32 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxypyrimidin-2-yl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 17221318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).