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

C9H13N7O — CID 106379018

IUPAC6-hydrazinyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(CNc2cc(NN)nc(N)n2)o1
InChIInChI=1S/C9H13N7O/c1-5-3-13-8(17-5)4-12-6-2-7(16-11)15-9(10)14-6/h2-3H,4,11H2,1H3,(H4,10,12,14,15,16)
InChIKeyLGETVVFGLNDAII-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.25
Rot. Bonds4

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

6-hydrazinyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 106379018) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID106379018
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name6-hydrazinyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1cnc(CNc2cc(NN)nc(N)n2)o1
InChIInChI=1S/C9H13N7O/c1-5-3-13-8(17-5)4-12-6-2-7(16-11)15-9(10)14-6/h2-3H,4,11H2,1H3,(H4,10,12,14,15,16)
InChIKeyLGETVVFGLNDAII-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'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine (CID 106379018) is 6-hydrazinyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine is Cc1cnc(CNc2cc(NN)nc(N)n2)o1.
What is the InChIKey of 6-hydrazinyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is LGETVVFGLNDAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c1-5-3-13-8(17-5)4-12-6-2-7(16-11)15-9(10)14-6/h2-3H,4,11H2,1H3,(H4,10,12,14,15,16).
What are the key properties of 6-hydrazinyl-4-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine?
6-hydrazinyl-4-N-[(5-methyl-1,3-oxazol-2-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-1,3-oxazol-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 106379018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).