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

C12H19N5O2 — CID 91967926

IUPAC2-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
SMILESCOCC(=O)Nc1cnc(N2CCN(C)CC2)nc1
InChIInChI=1S/C12H19N5O2/c1-16-3-5-17(6-4-16)12-13-7-10(8-14-12)15-11(18)9-19-2/h7-8H,3-6,9H2,1-2H3,(H,15,18)
InChIKeyRKRYQNLGVASWOW-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.19
Rot. Bonds4

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

2-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 91967926) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
PubChem CID91967926
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
SMILESCOCC(=O)Nc1cnc(N2CCN(C)CC2)nc1
InChIInChI=1S/C12H19N5O2/c1-16-3-5-17(6-4-16)12-13-7-10(8-14-12)15-11(18)9-19-2/h7-8H,3-6,9H2,1-2H3,(H,15,18)
InChIKeyRKRYQNLGVASWOW-UHFFFAOYSA-N
XLogP-0.19
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyrimidin-2-yloxyacetamide
CID 91967980
2-(4-methylphenoxy)-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide
CID 122299107
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
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide
CID 71789958
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxane-4-carboxamide
CID 122299154
2-methyl-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91967927
1-(5-chloro-2,4-dimethoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 91968122
N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide
CID 53164766
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-methylsulfanylbenzamide
CID 122299186
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 2-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide (CID 91967926) is 2-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide is COCC(=O)Nc1cnc(N2CCN(C)CC2)nc1.
What is the InChIKey of 2-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is RKRYQNLGVASWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-16-3-5-17(6-4-16)12-13-7-10(8-14-12)15-11(18)9-19-2/h7-8H,3-6,9H2,1-2H3,(H,15,18).
What are the key properties of 2-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide?
2-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 265.32 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 91967926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).