1-azido-5-methylpyrimidine-2,4-dione

C5H5N5O2 — CID 18179407

IUPAC1-azido-5-methylpyrimidine-2,4-dione
SMILESCc1cn(N=[N+]=[N-])c(=O)[nH]c1=O
InChIInChI=1S/C5H5N5O2/c1-3-2-10(9-8-6)5(12)7-4(3)11/h2H,1H3,(H,7,11,12)
InChIKeyXRWMFXHAHOJIFQ-UHFFFAOYSA-N
MW167.13 g/mol
LogP-0.08
Rot. Bonds1

About 1-azido-5-methylpyrimidine-2,4-dione

1-azido-5-methylpyrimidine-2,4-dione (PubChem CID 18179407) has the molecular formula C5H5N5O2 and a molecular weight of 167.13 g/mol. Its IUPAC name is 1-azido-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-azido-5-methylpyrimidine-2,4-dione
PubChem CID18179407
Molecular FormulaC5H5N5O2
Molecular Weight167.13 g/mol
Exact Mass167.04
IUPAC Name1-azido-5-methylpyrimidine-2,4-dione
SMILESCc1cn(N=[N+]=[N-])c(=O)[nH]c1=O
InChIInChI=1S/C5H5N5O2/c1-3-2-10(9-8-6)5(12)7-4(3)11/h2H,1H3,(H,7,11,12)
InChIKeyXRWMFXHAHOJIFQ-UHFFFAOYSA-N
XLogP-0.08
TPSA103.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 5-0.08
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'}

Analyze 1-azido-5-methylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thymine
CID 1135
1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
CID 95961
1-Ethylthymine
CID 5246756
Fluorothymine
CID 101251837
Acetylthymine
CID 667607
1-Amino thymine
CID 11819159
5-methyl-1H-pyrimidine-2,4-dione;hydrochloride
CID 21910563
5-(azidomethyl)-2,4(1H,3H)-pyrimidinedione
CID 21963027
Bromothymin
CID 53896155
5-Methyl-1-tritiopyrimidine-2,4-dione
CID 54289729
5-Methyl-1-sulfanylpyrimidine-2,4-dione
CID 54358869
Bithymine
CID 54398281

Frequently Asked Questions

What is the IUPAC name of 1-azido-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-azido-5-methylpyrimidine-2,4-dione (CID 18179407) is 1-azido-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-azido-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-azido-5-methylpyrimidine-2,4-dione is Cc1cn(N=[N+]=[N-])c(=O)[nH]c1=O.
What is the InChIKey of 1-azido-5-methylpyrimidine-2,4-dione?
The InChIKey is XRWMFXHAHOJIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O2/c1-3-2-10(9-8-6)5(12)7-4(3)11/h2H,1H3,(H,7,11,12).
What are the key properties of 1-azido-5-methylpyrimidine-2,4-dione?
1-azido-5-methylpyrimidine-2,4-dione has a molecular weight of 167.13 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 18179407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).