N-(2-aminoethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C9H14N4O3 — CID 4264356

IUPACN-(2-aminoethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)NCCN)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N4O3/c1-6-4-13(9(16)12-8(6)15)5-7(14)11-3-2-10/h4H,2-3,5,10H2,1H3,(H,11,14)(H,12,15,16)
InChIKeyGFMJDGLQSBJIPW-UHFFFAOYSA-N
MW226.24 g/mol
LogP-2.08
Rot. Bonds4

About N-(2-aminoethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-(2-aminoethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 4264356) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID4264356
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC NameN-(2-aminoethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)NCCN)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N4O3/c1-6-4-13(9(16)12-8(6)15)5-7(14)11-3-2-10/h4H,2-3,5,10H2,1H3,(H,11,14)(H,12,15,16)
InChIKeyGFMJDGLQSBJIPW-UHFFFAOYSA-N
XLogP-2.08
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
3,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 123209
N-((1-ethylpyrrolidin-2-yl)methyl)-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 45280809
2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(3-(2-oxopyrrolidin-1-yl)propyl)acetamide
CID 45280810
1-Ethylthymine
CID 5246756
2,4(1H,3H)-Pyrimidinedione, 5-methyl-, dimer
CID 160169
1-Butyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 581039
CID 421650
CID 421650
1-[3-[3-(3-Aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione;hydrochloride
CID 70682144
1-[3-[3-(3-Aminopropylamino)propylamino]propyl]-5-methylpyrimidine-2,4-dione;trihydrochloride
CID 127037343
N-(diaminomethylidene)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide
CID 177375335
3-acetyl-5-methylpyrimidine-2,4(1H,3H)-dione
CID 580962

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 4264356) is N-(2-aminoethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cc1cn(CC(=O)NCCN)c(=O)[nH]c1=O.
What is the InChIKey of N-(2-aminoethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is GFMJDGLQSBJIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-6-4-13(9(16)12-8(6)15)5-7(14)11-3-2-10/h4H,2-3,5,10H2,1H3,(H,11,14)(H,12,15,16).
What are the key properties of N-(2-aminoethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-(2-aminoethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 226.24 g/mol, XLogP of -2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 4264356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).