3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine

C10H19ClN6 — CID 80904346

IUPAC3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)Nc1nc(NN)ncc1Cl
InChIInChI=1S/C10H19ClN6/c1-7(4-5-17(2)3)14-9-8(11)6-13-10(15-9)16-12/h6-7H,4-5,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyPIHRVSWNKCXMLR-UHFFFAOYSA-N
MW258.76 g/mol
LogP1.17
Rot. Bonds6

About 3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine

3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 80904346) has the molecular formula C10H19ClN6 and a molecular weight of 258.76 g/mol. Its IUPAC name is 3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID80904346
Molecular FormulaC10H19ClN6
Molecular Weight258.76 g/mol
Exact Mass258.14
IUPAC Name3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)Nc1nc(NN)ncc1Cl
InChIInChI=1S/C10H19ClN6/c1-7(4-5-17(2)3)14-9-8(11)6-13-10(15-9)16-12/h6-7H,4-5,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyPIHRVSWNKCXMLR-UHFFFAOYSA-N
XLogP1.17
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.76
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 80904346) is 3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine is CC(CCN(C)C)Nc1nc(NN)ncc1Cl.
What is the InChIKey of 3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is PIHRVSWNKCXMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN6/c1-7(4-5-17(2)3)14-9-8(11)6-13-10(15-9)16-12/h6-7H,4-5,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 258.76 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 80904346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).