N,N-diethyl-2-[(5-formylpyrimidin-2-yl)-methylamino]acetamide

C12H18N4O2 — CID 113387641

IUPACN,N-diethyl-2-[(5-formylpyrimidin-2-yl)-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)c1ncc(C=O)cn1
InChIInChI=1S/C12H18N4O2/c1-4-16(5-2)11(18)8-15(3)12-13-6-10(9-17)7-14-12/h6-7,9H,4-5,8H2,1-3H3
InChIKeyUWLIAYITOCENQM-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.59
Rot. Bonds6

About N,N-diethyl-2-[(5-formylpyrimidin-2-yl)-methylamino]acetamide

N,N-diethyl-2-[(5-formylpyrimidin-2-yl)-methylamino]acetamide (PubChem CID 113387641) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N,N-diethyl-2-[(5-formylpyrimidin-2-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(5-formylpyrimidin-2-yl)-methylamino]acetamide
PubChem CID113387641
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN,N-diethyl-2-[(5-formylpyrimidin-2-yl)-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)c1ncc(C=O)cn1
InChIInChI=1S/C12H18N4O2/c1-4-16(5-2)11(18)8-15(3)12-13-6-10(9-17)7-14-12/h6-7,9H,4-5,8H2,1-3H3
InChIKeyUWLIAYITOCENQM-UHFFFAOYSA-N
XLogP0.59
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(5-formylpyrimidin-2-yl)-methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[(5-formylpyrimidin-2-yl)-methylamino]acetamide (CID 113387641) is N,N-diethyl-2-[(5-formylpyrimidin-2-yl)-methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(5-formylpyrimidin-2-yl)-methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(5-formylpyrimidin-2-yl)-methylamino]acetamide is CCN(CC)C(=O)CN(C)c1ncc(C=O)cn1.
What is the InChIKey of N,N-diethyl-2-[(5-formylpyrimidin-2-yl)-methylamino]acetamide?
The InChIKey is UWLIAYITOCENQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-4-16(5-2)11(18)8-15(3)12-13-6-10(9-17)7-14-12/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(5-formylpyrimidin-2-yl)-methylamino]acetamide?
N,N-diethyl-2-[(5-formylpyrimidin-2-yl)-methylamino]acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(5-formylpyrimidin-2-yl)-methylamino]acetamide is sourced from PubChem (CID 113387641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).