N,N-diethyl-1-hydroxy-6-imino-2-methylpyrimidin-4-amine

C9H16N4O — CID 15734620

IUPACN,N-diethyl-1-hydroxy-6-imino-2-methylpyrimidin-4-amine
SMILES[H]/N=c1\cc(N(CC)CC)nc(C)n1O
InChIInChI=1S/C9H16N4O/c1-4-12(5-2)9-6-8(10)13(14)7(3)11-9/h6,10,14H,4-5H2,1-3H3/b10-8+
InChIKeyXAPJBEVMVNSFLA-CSKARUKUSA-N
MW196.25 g/mol
LogP0.75
Rot. Bonds3

About N,N-diethyl-1-hydroxy-6-imino-2-methylpyrimidin-4-amine

N,N-diethyl-1-hydroxy-6-imino-2-methylpyrimidin-4-amine (PubChem CID 15734620) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N,N-diethyl-1-hydroxy-6-imino-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-1-hydroxy-6-imino-2-methylpyrimidin-4-amine
PubChem CID15734620
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN,N-diethyl-1-hydroxy-6-imino-2-methylpyrimidin-4-amine
SMILES[H]/N=c1\cc(N(CC)CC)nc(C)n1O
InChIInChI=1S/C9H16N4O/c1-4-12(5-2)9-6-8(10)13(14)7(3)11-9/h6,10,14H,4-5H2,1-3H3/b10-8+
InChIKeyXAPJBEVMVNSFLA-CSKARUKUSA-N
XLogP0.75
TPSA65.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N,N-diethyl-1-hydroxy-6-imino-2-methylpyrimidin-4-amine 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,N-diethyl-1-hydroxy-6-imino-2-methylpyrimidin-4-amine?
The IUPAC name of N,N-diethyl-1-hydroxy-6-imino-2-methylpyrimidin-4-amine (CID 15734620) is N,N-diethyl-1-hydroxy-6-imino-2-methylpyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-1-hydroxy-6-imino-2-methylpyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-1-hydroxy-6-imino-2-methylpyrimidin-4-amine is [H]/N=c1\cc(N(CC)CC)nc(C)n1O.
What is the InChIKey of N,N-diethyl-1-hydroxy-6-imino-2-methylpyrimidin-4-amine?
The InChIKey is XAPJBEVMVNSFLA-CSKARUKUSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-12(5-2)9-6-8(10)13(14)7(3)11-9/h6,10,14H,4-5H2,1-3H3/b10-8+.
What are the key properties of N,N-diethyl-1-hydroxy-6-imino-2-methylpyrimidin-4-amine?
N,N-diethyl-1-hydroxy-6-imino-2-methylpyrimidin-4-amine has a molecular weight of 196.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-hydroxy-6-imino-2-methylpyrimidin-4-amine is sourced from PubChem (CID 15734620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).