N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)formamide

C5H7N5O2 — CID 135463573

IUPACN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)formamide
SMILESNc1nc(N)c(NC=O)c(=O)[nH]1
InChIInChI=1S/C5H7N5O2/c6-3-2(8-1-11)4(12)10-5(7)9-3/h1H,(H,8,11)(H5,6,7,9,10,12)
InChIKeyRUHWEHKVKUSJAF-UHFFFAOYSA-N
MW169.14 g/mol
LogP-1.50
Rot. Bonds2

About N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)formamide

N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)formamide (PubChem CID 135463573) has the molecular formula C5H7N5O2 and a molecular weight of 169.14 g/mol. Its IUPAC name is N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)formamide.

Molecular Properties

Compound NameN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)formamide
PubChem CID135463573
Molecular FormulaC5H7N5O2
Molecular Weight169.14 g/mol
Exact Mass169.06
IUPAC NameN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)formamide
SMILESNc1nc(N)c(NC=O)c(=O)[nH]1
InChIInChI=1S/C5H7N5O2/c6-3-2(8-1-11)4(12)10-5(7)9-3/h1H,(H,8,11)(H5,6,7,9,10,12)
InChIKeyRUHWEHKVKUSJAF-UHFFFAOYSA-N
XLogP-1.50
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,4-diamino-6-oxo-1H-pyrimidin-5-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-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)formamide?
The IUPAC name of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)formamide (CID 135463573) is N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)formamide.
What is the SMILES notation for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)formamide?
The canonical SMILES for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)formamide is Nc1nc(N)c(NC=O)c(=O)[nH]1.
What is the InChIKey of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)formamide?
The InChIKey is RUHWEHKVKUSJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5O2/c6-3-2(8-1-11)4(12)10-5(7)9-3/h1H,(H,8,11)(H5,6,7,9,10,12).
What are the key properties of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)formamide?
N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)formamide has a molecular weight of 169.14 g/mol, XLogP of -1.50, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)formamide is sourced from PubChem (CID 135463573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).