N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide

C12H18N4O3 — CID 167286972

IUPACN-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCNCCN(CC(C)=O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H18N4O3/c1-10(17)8-15(7-5-13-2)11(18)9-16-6-3-4-14-12(16)19/h3-4,6,13H,5,7-9H2,1-2H3
InChIKeyYZPSXQHCDCBSBN-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.12
Rot. Bonds7

About N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide

N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 167286972) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID167286972
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCNCCN(CC(C)=O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H18N4O3/c1-10(17)8-15(7-5-13-2)11(18)9-16-6-3-4-14-12(16)19/h3-4,6,13H,5,7-9H2,1-2H3
InChIKeyYZPSXQHCDCBSBN-UHFFFAOYSA-N
XLogP-1.12
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide (CID 167286972) is N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide is CNCCN(CC(C)=O)C(=O)Cn1cccnc1=O.
What is the InChIKey of N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is YZPSXQHCDCBSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-10(17)8-15(7-5-13-2)11(18)9-16-6-3-4-14-12(16)19/h3-4,6,13H,5,7-9H2,1-2H3.
What are the key properties of N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide?
N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 266.30 g/mol, XLogP of -1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-N-(2-oxopropyl)-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 167286972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).