6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine

C9H13N7O — CID 80903751

IUPAC6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(CNc2cc(NN)nc(N)n2)no1
InChIInChI=1S/C9H13N7O/c1-5-2-6(16-17-5)4-12-7-3-8(15-11)14-9(10)13-7/h2-3H,4,11H2,1H3,(H4,10,12,13,14,15)
InChIKeyUOSNMSKBZNWWPG-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.25
Rot. Bonds4

About 6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine

6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80903751) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80903751
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cc(CNc2cc(NN)nc(N)n2)no1
InChIInChI=1S/C9H13N7O/c1-5-2-6(16-17-5)4-12-7-3-8(15-11)14-9(10)13-7/h2-3H,4,11H2,1H3,(H4,10,12,13,14,15)
InChIKeyUOSNMSKBZNWWPG-UHFFFAOYSA-N
XLogP0.25
TPSA127.91 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814394
6-chloro-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,4-diamine
CID 104924020
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80812985
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80931350
4-methyl-2-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2,5-diamine
CID 79175930
(5-methyl-1,2-oxazol-3-yl)methylhydrazine
CID 66157923
2-cyclopropyl-6-N-ethyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-4,6-diamine
CID 80958301
6-hydrazinyl-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 80896903
5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80814214
2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564722
6-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 48932126
3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]quinoxaline-2,3-diamine
CID 102983976

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine (CID 80903751) is 6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine is Cc1cc(CNc2cc(NN)nc(N)n2)no1.
What is the InChIKey of 6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is UOSNMSKBZNWWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c1-5-2-6(16-17-5)4-12-7-3-8(15-11)14-9(10)13-7/h2-3H,4,11H2,1H3,(H4,10,12,13,14,15).
What are the key properties of 6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine?
6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 235.25 g/mol, XLogP of 0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80903751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).