2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide

C12H20N4O2 — CID 114133921

IUPAC2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCOc1cc(NCC(=O)N(C)CC)nc(C)n1
InChIInChI=1S/C12H20N4O2/c1-5-16(4)12(17)8-13-10-7-11(18-6-2)15-9(3)14-10/h7H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeyKHLGWEBAYQVPTH-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.07
Rot. Bonds6

About 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide

2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide (PubChem CID 114133921) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
PubChem CID114133921
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
SMILESCCOc1cc(NCC(=O)N(C)CC)nc(C)n1
InChIInChI=1S/C12H20N4O2/c1-5-16(4)12(17)8-13-10-7-11(18-6-2)15-9(3)14-10/h7H,5-6,8H2,1-4H3,(H,13,14,15)
InChIKeyKHLGWEBAYQVPTH-UHFFFAOYSA-N
XLogP1.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide (CID 114133921) is 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide is CCOc1cc(NCC(=O)N(C)CC)nc(C)n1.
What is the InChIKey of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
The InChIKey is KHLGWEBAYQVPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-5-16(4)12(17)8-13-10-7-11(18-6-2)15-9(3)14-10/h7H,5-6,8H2,1-4H3,(H,13,14,15).
What are the key properties of 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide?
2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide has a molecular weight of 252.32 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 114133921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).