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

C10H17N5O3 — CID 137009322

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N5O3/c1-15(5-7(16)12-3-4-18-2)9-8(11)10(17)14-6-13-9/h6H,3-5,11H2,1-2H3,(H,12,16)(H,13,14,17)
InChIKeyIOVXGGPTCZXQQT-UHFFFAOYSA-N
MW255.28 g/mol
LogP-1.45
Rot. Bonds6

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

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 137009322) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID137009322
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C10H17N5O3/c1-15(5-7(16)12-3-4-18-2)9-8(11)10(17)14-6-13-9/h6H,3-5,11H2,1-2H3,(H,12,16)(H,13,14,17)
InChIKeyIOVXGGPTCZXQQT-UHFFFAOYSA-N
XLogP-1.45
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-1H-pyrimidin-6-one
CID 136979598
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid
CID 136958649
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 136989947
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetamide
CID 137009327
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 81132098
2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 104506622
2-[(5-aminopyrazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80652005
2-[(5-bromo-6-chloropyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 114071706
5-amino-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one
CID 137009854
6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid
CID 80632539
5-amino-4-[methyl(2-methylbutyl)amino]-1H-pyrimidin-6-one
CID 137009099
2-[(4-chloro-1,2,5-thiadiazol-3-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 60726164

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide (CID 137009322) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)c1nc[nH]c(=O)c1N.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is IOVXGGPTCZXQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-15(5-7(16)12-3-4-18-2)9-8(11)10(17)14-6-13-9/h6H,3-5,11H2,1-2H3,(H,12,16)(H,13,14,17).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 255.28 g/mol, XLogP of -1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 137009322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).