N-[2-(diethylamino)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide

C12H20N4O3 — CID 2149974

IUPACN-[2-(diethylamino)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
SMILESCCN(CC)CCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H20N4O3/c1-3-16(4-2)6-5-13-10(17)7-9-8-11(18)15-12(19)14-9/h8H,3-7H2,1-2H3,(H,13,17)(H2,14,15,18,19)
InChIKeyZVSCASYZCOWFKB-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.94
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide

N-[2-(diethylamino)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide (PubChem CID 2149974) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
PubChem CID2149974
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-[2-(diethylamino)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
SMILESCCN(CC)CCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H20N4O3/c1-3-16(4-2)6-5-13-10(17)7-9-8-11(18)15-12(19)14-9/h8H,3-7H2,1-2H3,(H,13,17)(H2,14,15,18,19)
InChIKeyZVSCASYZCOWFKB-UHFFFAOYSA-N
XLogP-0.94
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide (CID 2149974) is N-[2-(diethylamino)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide is CCN(CC)CCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
The InChIKey is ZVSCASYZCOWFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-3-16(4-2)6-5-13-10(17)7-9-8-11(18)15-12(19)14-9/h8H,3-7H2,1-2H3,(H,13,17)(H2,14,15,18,19).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide?
N-[2-(diethylamino)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide has a molecular weight of 268.32 g/mol, XLogP of -0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide is sourced from PubChem (CID 2149974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).