N-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]formamide

C9H11N5O3 — CID 135492990

IUPACN-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]formamide
SMILESCN(C)/C=N/c1nc(NC=O)c(C=O)c(=O)[nH]1
InChIInChI=1S/C9H11N5O3/c1-14(2)4-10-9-12-7(11-5-16)6(3-15)8(17)13-9/h3-5H,1-2H3,(H2,11,12,13,16,17)/b10-4+
InChIKeyLZXOVTVOCVFWJR-ONNFQVAWSA-N
MW237.22 g/mol
LogP-0.63
Rot. Bonds5

About N-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]formamide

N-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]formamide (PubChem CID 135492990) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is N-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]formamide.

Molecular Properties

Compound NameN-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]formamide
PubChem CID135492990
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC NameN-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]formamide
SMILESCN(C)/C=N/c1nc(NC=O)c(C=O)c(=O)[nH]1
InChIInChI=1S/C9H11N5O3/c1-14(2)4-10-9-12-7(11-5-16)6(3-15)8(17)13-9/h3-5H,1-2H3,(H2,11,12,13,16,17)/b10-4+
InChIKeyLZXOVTVOCVFWJR-ONNFQVAWSA-N
XLogP-0.63
TPSA107.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]formamide 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-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]formamide?
The IUPAC name of N-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]formamide (CID 135492990) is N-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]formamide.
What is the SMILES notation for N-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]formamide?
The canonical SMILES for N-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]formamide is CN(C)/C=N/c1nc(NC=O)c(C=O)c(=O)[nH]1.
What is the InChIKey of N-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]formamide?
The InChIKey is LZXOVTVOCVFWJR-ONNFQVAWSA-N. The full InChI is InChI=1S/C9H11N5O3/c1-14(2)4-10-9-12-7(11-5-16)6(3-15)8(17)13-9/h3-5H,1-2H3,(H2,11,12,13,16,17)/b10-4+.
What are the key properties of N-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]formamide?
N-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]formamide has a molecular weight of 237.22 g/mol, XLogP of -0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-dimethylaminomethylideneamino]-5-formyl-6-oxo-1H-pyrimidin-4-yl]formamide is sourced from PubChem (CID 135492990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).