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

C9H12N6O — CID 106378972

IUPAC6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(NN)ncn2)o1
InChIInChI=1S/C9H12N6O/c1-6-3-12-9(16-6)4-11-7-2-8(15-10)14-5-13-7/h2-3,5H,4,10H2,1H3,(H2,11,13,14,15)
InChIKeyTZLLILORBQCXHY-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.67
Rot. Bonds4

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

6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 106378972) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID106378972
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(NN)ncn2)o1
InChIInChI=1S/C9H12N6O/c1-6-3-12-9(16-6)4-11-7-2-8(15-10)14-5-13-7/h2-3,5H,4,10H2,1H3,(H2,11,13,14,15)
InChIKeyTZLLILORBQCXHY-UHFFFAOYSA-N
XLogP0.67
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine (CID 106378972) is 6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is Cc1cnc(CNc2cc(NN)ncn2)o1.
What is the InChIKey of 6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is TZLLILORBQCXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-6-3-12-9(16-6)4-11-7-2-8(15-10)14-5-13-7/h2-3,5H,4,10H2,1H3,(H2,11,13,14,15).
What are the key properties of 6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine?
6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 220.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 106378972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).