6-hydrazinyl-N-octan-4-yl-5-propan-2-ylpyrimidin-4-amine

C15H29N5 — CID 106026043

IUPAC6-hydrazinyl-N-octan-4-yl-5-propan-2-ylpyrimidin-4-amine
SMILESCCCCC(CCC)Nc1ncnc(NN)c1C(C)C
InChIInChI=1S/C15H29N5/c1-5-7-9-12(8-6-2)19-14-13(11(3)4)15(20-16)18-10-17-14/h10-12H,5-9,16H2,1-4H3,(H2,17,18,19,20)
InChIKeyQERTWBRRICJSCE-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.66
Rot. Bonds9

About 6-hydrazinyl-N-octan-4-yl-5-propan-2-ylpyrimidin-4-amine

6-hydrazinyl-N-octan-4-yl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 106026043) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 6-hydrazinyl-N-octan-4-yl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-octan-4-yl-5-propan-2-ylpyrimidin-4-amine
PubChem CID106026043
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name6-hydrazinyl-N-octan-4-yl-5-propan-2-ylpyrimidin-4-amine
SMILESCCCCC(CCC)Nc1ncnc(NN)c1C(C)C
InChIInChI=1S/C15H29N5/c1-5-7-9-12(8-6-2)19-14-13(11(3)4)15(20-16)18-10-17-14/h10-12H,5-9,16H2,1-4H3,(H2,17,18,19,20)
InChIKeyQERTWBRRICJSCE-UHFFFAOYSA-N
XLogP3.66
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-octan-4-yl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-octan-4-yl-5-propan-2-ylpyrimidin-4-amine (CID 106026043) is 6-hydrazinyl-N-octan-4-yl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-octan-4-yl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-octan-4-yl-5-propan-2-ylpyrimidin-4-amine is CCCCC(CCC)Nc1ncnc(NN)c1C(C)C.
What is the InChIKey of 6-hydrazinyl-N-octan-4-yl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is QERTWBRRICJSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-5-7-9-12(8-6-2)19-14-13(11(3)4)15(20-16)18-10-17-14/h10-12H,5-9,16H2,1-4H3,(H2,17,18,19,20).
What are the key properties of 6-hydrazinyl-N-octan-4-yl-5-propan-2-ylpyrimidin-4-amine?
6-hydrazinyl-N-octan-4-yl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 279.43 g/mol, XLogP of 3.66, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-octan-4-yl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106026043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).