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

C6H9N5O2 — CID 135398708

IUPACN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-methylformamide
SMILESCN(C=O)c1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C6H9N5O2/c1-11(2-12)3-4(7)9-6(8)10-5(3)13/h2H,1H3,(H5,7,8,9,10,13)
InChIKeyCGWDNAFNQOBSCK-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.47
Rot. Bonds2

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

N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-methylformamide (PubChem CID 135398708) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-methylformamide.

Molecular Properties

Compound NameN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-methylformamide
PubChem CID135398708
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC NameN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-methylformamide
SMILESCN(C=O)c1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C6H9N5O2/c1-11(2-12)3-4(7)9-6(8)10-5(3)13/h2H,1H3,(H5,7,8,9,10,13)
InChIKeyCGWDNAFNQOBSCK-UHFFFAOYSA-N
XLogP-1.47
TPSA118.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
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)-N-methylformamide 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)-N-methylformamide?
The IUPAC name of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-methylformamide (CID 135398708) is N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-methylformamide.
What is the SMILES notation for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-methylformamide?
The canonical SMILES for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-methylformamide is CN(C=O)c1c(N)nc(N)[nH]c1=O.
What is the InChIKey of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-methylformamide?
The InChIKey is CGWDNAFNQOBSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c1-11(2-12)3-4(7)9-6(8)10-5(3)13/h2H,1H3,(H5,7,8,9,10,13).
What are the key properties of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-methylformamide?
N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-methylformamide has a molecular weight of 183.17 g/mol, XLogP of -1.47, 2 rotatable bonds, 3 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)-N-methylformamide is sourced from PubChem (CID 135398708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).