2-[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethylamino]acetamide

C8H12N4O3 — CID 141014991

IUPAC2-[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethylamino]acetamide
SMILESNC(=O)CNCCn1c(=O)cc[nH]c1=O
InChIInChI=1S/C8H12N4O3/c9-6(13)5-10-3-4-12-7(14)1-2-11-8(12)15/h1-2,10H,3-5H2,(H2,9,13)(H,11,15)
InChIKeyMQSXTHLXYRVDSQ-UHFFFAOYSA-N
MW212.21 g/mol
LogP-2.39
Rot. Bonds5

About 2-[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethylamino]acetamide

2-[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethylamino]acetamide (PubChem CID 141014991) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethylamino]acetamide.

Molecular Properties

Compound Name2-[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethylamino]acetamide
PubChem CID141014991
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethylamino]acetamide
SMILESNC(=O)CNCCn1c(=O)cc[nH]c1=O
InChIInChI=1S/C8H12N4O3/c9-6(13)5-10-3-4-12-7(14)1-2-11-8(12)15/h1-2,10H,3-5H2,(H2,9,13)(H,11,15)
InChIKeyMQSXTHLXYRVDSQ-UHFFFAOYSA-N
XLogP-2.39
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-2.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
CID 651501
2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-(2-hydroxyethyl)acetamide
CID 2064469
3-((2-Pyrrolidine-1-yl)-ethyl)uracil
CID 49845542
5-(Dimethylamino)uracil
CID 255552
3-Butyluracil
CID 73265
6-Amino-1-[2-(diethylamino)ethyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2118143
N-Isopropyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 2227167
N-butyl-2,4-dioxopyrimidine-1-carboxamide
CID 71655044
N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 348854
2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)acetic acid
CID 16037827
Urea, 1-allyl-3-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-
CID 208129
2,4-dioxo-N-propyl-1H-pyrimidine-3-carboxamide
CID 10241815

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethylamino]acetamide?
The IUPAC name of 2-[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethylamino]acetamide (CID 141014991) is 2-[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethylamino]acetamide.
What is the SMILES notation for 2-[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethylamino]acetamide?
The canonical SMILES for 2-[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethylamino]acetamide is NC(=O)CNCCn1c(=O)cc[nH]c1=O.
What is the InChIKey of 2-[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethylamino]acetamide?
The InChIKey is MQSXTHLXYRVDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c9-6(13)5-10-3-4-12-7(14)1-2-11-8(12)15/h1-2,10H,3-5H2,(H2,9,13)(H,11,15).
What are the key properties of 2-[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethylamino]acetamide?
2-[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethylamino]acetamide has a molecular weight of 212.21 g/mol, XLogP of -2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dioxo-1H-pyrimidin-3-yl)ethylamino]acetamide is sourced from PubChem (CID 141014991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).