2-azido-N-(6-methylpyrimidin-4-yl)acetamide

C7H8N6O — CID 166398031

IUPAC2-azido-N-(6-methylpyrimidin-4-yl)acetamide
SMILESCc1cc(NC(=O)CN=[N+]=[N-])ncn1
InChIInChI=1S/C7H8N6O/c1-5-2-6(10-4-9-5)12-7(14)3-11-13-8/h2,4H,3H2,1H3,(H,9,10,12,14)
InChIKeyCSOJEGIEOOIFQQ-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.03
Rot. Bonds3

About 2-azido-N-(6-methylpyrimidin-4-yl)acetamide

2-azido-N-(6-methylpyrimidin-4-yl)acetamide (PubChem CID 166398031) has the molecular formula C7H8N6O and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-azido-N-(6-methylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound Name2-azido-N-(6-methylpyrimidin-4-yl)acetamide
PubChem CID166398031
Molecular FormulaC7H8N6O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name2-azido-N-(6-methylpyrimidin-4-yl)acetamide
SMILESCc1cc(NC(=O)CN=[N+]=[N-])ncn1
InChIInChI=1S/C7H8N6O/c1-5-2-6(10-4-9-5)12-7(14)3-11-13-8/h2,4H,3H2,1H3,(H,9,10,12,14)
InChIKeyCSOJEGIEOOIFQQ-UHFFFAOYSA-N
XLogP1.03
TPSA103.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(5-methyl-2-pyridinyl)-3-[(6-methylpyrimidin-4-yl)amino]propanamide
CID 133301210
2-azido-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 61373651
N-tert-butyl-2-[(6-methylpyrimidin-4-yl)amino]acetamide
CID 78954650
3-methyl-2-(methylamino)-N-(6-methylpyrimidin-4-yl)butanamide
CID 110838078
2-azido-N-[(4-methylphenyl)methyl]acetamide
CID 52940391
2-azido-N-(4-propylphenyl)acetamide
CID 61374209
2-azido-N-(pyridin-4-ylmethyl)acetamide
CID 112708135
2-[(6-methylpyrimidin-4-yl)amino]ethylurea
CID 79033984
methyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate
CID 61225699
methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate
CID 90453684
2-azido-N-(2-chloro-5-fluorophenyl)acetamide
CID 112707918
2-azido-N-(2,3-dichlorophenyl)acetamide
CID 55136750

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-(6-methylpyrimidin-4-yl)acetamide?
The IUPAC name of 2-azido-N-(6-methylpyrimidin-4-yl)acetamide (CID 166398031) is 2-azido-N-(6-methylpyrimidin-4-yl)acetamide.
What is the SMILES notation for 2-azido-N-(6-methylpyrimidin-4-yl)acetamide?
The canonical SMILES for 2-azido-N-(6-methylpyrimidin-4-yl)acetamide is Cc1cc(NC(=O)CN=[N+]=[N-])ncn1.
What is the InChIKey of 2-azido-N-(6-methylpyrimidin-4-yl)acetamide?
The InChIKey is CSOJEGIEOOIFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O/c1-5-2-6(10-4-9-5)12-7(14)3-11-13-8/h2,4H,3H2,1H3,(H,9,10,12,14).
What are the key properties of 2-azido-N-(6-methylpyrimidin-4-yl)acetamide?
2-azido-N-(6-methylpyrimidin-4-yl)acetamide has a molecular weight of 192.18 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-(6-methylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 166398031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).