N-(diaminomethylidene)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide

C8H11N5O3 — CID 177375335

IUPACN-(diaminomethylidene)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide
SMILESCc1c[nH]c(=O)n(CC(=O)N=C(N)N)c1=O
InChIInChI=1S/C8H11N5O3/c1-4-2-11-8(16)13(6(4)15)3-5(14)12-7(9)10/h2H,3H2,1H3,(H,11,16)(H4,9,10,12,14)
InChIKeyYHSQFZAJAVLZKO-UHFFFAOYSA-N
MW225.21 g/mol
LogP-2.35
Rot. Bonds2

About N-(diaminomethylidene)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide

N-(diaminomethylidene)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide (PubChem CID 177375335) has the molecular formula C8H11N5O3 and a molecular weight of 225.21 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide
PubChem CID177375335
Molecular FormulaC8H11N5O3
Molecular Weight225.21 g/mol
Exact Mass225.09
IUPAC NameN-(diaminomethylidene)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide
SMILESCc1c[nH]c(=O)n(CC(=O)N=C(N)N)c1=O
InChIInChI=1S/C8H11N5O3/c1-4-2-11-8(16)13(6(4)15)3-5(14)12-7(9)10/h2H,3H2,1H3,(H,11,16)(H4,9,10,12,14)
InChIKeyYHSQFZAJAVLZKO-UHFFFAOYSA-N
XLogP-2.35
TPSA136.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-2.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(diaminomethylidene)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide?
The IUPAC name of N-(diaminomethylidene)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide (CID 177375335) is N-(diaminomethylidene)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(diaminomethylidene)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(diaminomethylidene)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide is Cc1c[nH]c(=O)n(CC(=O)N=C(N)N)c1=O.
What is the InChIKey of N-(diaminomethylidene)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide?
The InChIKey is YHSQFZAJAVLZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3/c1-4-2-11-8(16)13(6(4)15)3-5(14)12-7(9)10/h2H,3H2,1H3,(H,11,16)(H4,9,10,12,14).
What are the key properties of N-(diaminomethylidene)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide?
N-(diaminomethylidene)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide has a molecular weight of 225.21 g/mol, XLogP of -2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)acetamide is sourced from PubChem (CID 177375335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).