2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide

C8H13N5O2 — CID 136713548

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1nc[nH]c(=O)c1N
InChIInChI=1S/C8H13N5O2/c1-2-13(3-5(9)14)7-6(10)8(15)12-4-11-7/h4H,2-3,10H2,1H3,(H2,9,14)(H,11,12,15)
InChIKeyRQKNYAOMXYBFOV-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.34
Rot. Bonds4

About 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide (PubChem CID 136713548) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
PubChem CID136713548
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1nc[nH]c(=O)c1N
InChIInChI=1S/C8H13N5O2/c1-2-13(3-5(9)14)7-6(10)8(15)12-4-11-7/h4H,2-3,10H2,1H3,(H2,9,14)(H,11,12,15)
InChIKeyRQKNYAOMXYBFOV-UHFFFAOYSA-N
XLogP-1.34
TPSA118.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-Dimethyl-5,6,7,8-tetrahydropterin
CID 135406872
Pepteridine A
CID 146684612
Pepteridine B
CID 146684613
Tetrahydropterin
CID 135453284
2-Methylamino-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 135519036
5,6-Dimethyl-5,6,7,8-tetrahydropterin
CID 135554447
3,5,7,8-Tetrahydro-4,6-pteridinedione
CID 135703371
5,6,7,8-Tetrahydropteridin-4(1H)-one
CID 135755335
5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991
Pyrimidine, 4-amino-5-dimethylamino-6-hydroxy-
CID 136343852
Pyrimidine, 4-amino-5-ethylamino-6-hydroxy-
CID 169130890

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide (CID 136713548) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide is CCN(CC(N)=O)c1nc[nH]c(=O)c1N.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide?
The InChIKey is RQKNYAOMXYBFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-2-13(3-5(9)14)7-6(10)8(15)12-4-11-7/h4H,2-3,10H2,1H3,(H2,9,14)(H,11,12,15).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide has a molecular weight of 211.22 g/mol, XLogP of -1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide is sourced from PubChem (CID 136713548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).